ethyl (E)-4-[(5-chloranyl-1H-indol-2-yl)carbonyl-(phenylmethyl)amino]but-2-enoate

Systemtic Name: ethyl (E)-4-[(5-chloranyl-1H-indol-2-yl)carbonyl-(phenylmethyl)amino]but-2-enoate Openeye Name: ethyl (E)-4-[benzyl-(5-chloro-1H-indole-2-carbonyl)amino]but-2-enoate CAS Name: (E)-4-[[(5-chloro-1H-indol-2-yl)-oxomethyl]-(phenylmethyl)amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[benzyl-(5-chloro-1H-indole-2-carbonyl)amino]but-2-enoate Traditional Name: (E)-4-[benzyl-(5-chloro-1H-indole-2-carbonyl)amino]but-2-enoic acid ethyl ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCN(CC1=CC=CC=C1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)/C=C/CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C22H21ClN2O3/c1-2-28-21(26)9-6-12-25(15-16-7-4-3-5-8-16)22(27)20-14-17-13-18(23)10-11-19(17)24-20/h3-11,13-14,24H,2,12,15H2,1H3/b9-6+