methyl 2-[3-[(Z)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]indol-1-yl]ethanoate

Systemtic Name: methyl 2-[3-[(Z)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]indol-1-yl]ethanoate Openeye Name: methyl 2-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]indol-1-yl]acetate CAS Name: 2-[3-[(Z)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-1-indolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]acetate Traditional Name: 2-[3-[(Z)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]indol-1-yl]acetic acid methyl ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C=C(C2=CC=CC=C21)/C=C(/C#N)\C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O3/c1-28-21(26)15-25-14-18(19-9-5-6-10-20(19)25)11-17(12-23)22(27)24-13-16-7-3-2-4-8-16/h2-11,14H,13,15H2,1H3,(H,24,27)/b17-11-