tert-butyl (3S)-3-[(1S)-1-(3-cyanophenyl)-2-methoxycarbonyl-prop-2-enyl]-2-oxidanylidene-3-phenyl-indole-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(1S)-1-(3-cyanophenyl)-2-methoxycarbonyl-prop-2-enyl]-2-oxidanylidene-3-phenyl-indole-1-carboxylate Openeye Name: tert-butyl (3S)-3-[(1S)-1-(3-cyanophenyl)-2-methoxycarbonyl-allyl]-2-oxo-3-phenyl-indoline-1-carboxylate CAS Name: (3S)-3-[(1S)-1-(3-cyanophenyl)-2-methoxycarbonylprop-2-enyl]-2-oxo-3-phenyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(1S)-1-(3-cyanophenyl)-2-methoxycarbonylprop-2-enyl]-2-oxo-3-phenylindole-1-carboxylate Traditional Name: (3S)-3-[(1S)-2-carbomethoxy-1-(3-cyanophenyl)allyl]-2-keto-3-phenyl-indoline-1-carboxylic acid tert-butyl ester Formula: C31H28N2O5 MolecularWeight: 508.56442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(C1=O)(C3=CC=CC=C3)C(C4=CC=CC(=C4)C#N)C(=C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2[C@@](C1=O)(C3=CC=CC=C3)[C@H](C4=CC=CC(=C4)C#N)C(=C)C(=O)OC

InChI

InChI=1S/C31H28N2O5/c1-20(27(34)37-5)26(22-13-11-12-21(18-22)19-32)31(23-14-7-6-8-15-23)24-16-9-10-17-25(24)33(28(31)35)29(36)38-30(2,3)4/h6-18,26H,1H2,2-5H3/t26-,31-/m0/s1