[2-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [2-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [2-[(1-methoxycarbonyl-3-methyl-butyl)amino]-2-oxo-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-[(1-carbomethoxy-3-methyl-butyl)amino]-2-keto-ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(CC(C)C)C(=O)OC)N2C=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(CC(C)C)C(=O)OC)N2C=CC=C2

InChI

InChI=1S/C21H26N2O5/c1-14(2)11-17(21(26)27-4)22-19(24)13-28-20(25)16-8-7-15(3)18(12-16)23-9-5-6-10-23/h5-10,12,14,17H,11,13H2,1-4H3,(H,22,24)