butyl 4-[[2-cyano-3-[1-(phenylmethyl)indol-3-yl]prop-2-enoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-cyano-3-[1-(phenylmethyl)indol-3-yl]prop-2-enoyl]amino]benzoate Openeye Name: butyl 4-[[3-(1-benzylindol-3-yl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[2-cyano-1-oxo-3-[1-(phenylmethyl)-3-indolyl]prop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[3-(1-benzylindol-3-yl)-2-cyano-acryloyl]amino]benzoic acid butyl ester Formula: C30H27N3O3 MolecularWeight: 477.55368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C#N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C30H27N3O3/c1-2-3-17-36-30(35)23-13-15-26(16-14-23)32-29(34)24(19-31)18-25-21-33(20-22-9-5-4-6-10-22)28-12-8-7-11-27(25)28/h4-16,18,21H,2-3,17,20H2,1H3,(H,32,34)