ethyl (2S)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]imino-propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]imino-propanoate Openeye Name: ethyl (2S)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]imino-propanoate CAS Name: (2S)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]iminopropanoate Traditional Name: (2S)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]imino-propionic acid ethyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC(C1=CC=C(C=C1)OC)C2=CNC3=CC=CC=C32)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NC[C@H](C1=CC=C(C=C1)OC)C2=CNC3=CC=CC=C32)C#N

InChI

InChI=1S/C23H23N3O3/c1-3-29-23(27)17(12-24)13-25-14-20(16-8-10-18(28-2)11-9-16)21-15-26-22-7-5-4-6-19(21)22/h4-11,13,15,17,20,26H,3,14H2,1-2H3/t17-,20-/m1/s1