tert-butyl 2-[[4-[(1R)-1-[[(6Z)-6-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazin-2-yl]amino]ethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-[(1R)-1-[[(6Z)-6-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazin-2-yl]amino]ethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[4-[(1R)-1-[[(6Z)-6-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazin-2-yl]amino]ethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-[(1R)-1-[[(6Z)-6-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyrazin-2-yl]amino]ethyl]anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[(1R)-1-[[(6Z)-6-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrazin-2-yl]amino]ethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[4-[(1R)-1-[[(6Z)-6-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-1H-pyrazin-2-yl]amino]ethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C29H35N5O5 MolecularWeight: 533.6187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)OC(C)(C)C)NC3=CN=CC(=C4C=CC(=O)C(=C4)OC)N3

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)OC(C)(C)C)NC3=CN=C/C(=C/4\C=CC(=O)C(=C4)OC)/N3

InChI

InChI=1S/C29H35N5O5/c1-18(31-26-17-30-16-22(33-26)20-10-13-24(35)25(15-20)38-5)19-8-11-21(12-9-19)32-27(36)23-7-6-14-34(23)28(37)39-29(2,3)4/h8-13,15-18,23,31,33H,6-7,14H2,1-5H3,(H,32,36)/b22-20-/t18-,23?/m1/s1