prop-2-enyl 3-[[2-cyano-2-[[3-(3-methylphenyl)-2-phenylazanyl-propanoyl]amino]ethoxy]methyl]benzoate

Systemtic Name: prop-2-enyl 3-[[2-cyano-2-[[3-(3-methylphenyl)-2-phenylazanyl-propanoyl]amino]ethoxy]methyl]benzoate Openeye Name: allyl 3-[[2-[[2-anilino-3-(m-tolyl)propanoyl]amino]-2-cyano-ethoxy]methyl]benzoate CAS Name: 3-[[2-[[2-anilino-3-(3-methylphenyl)-1-oxopropyl]amino]-2-cyanoethoxy]methyl]benzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[[2-[[2-anilino-3-(3-methylphenyl)propanoyl]amino]-2-cyanoethoxy]methyl]benzoate Traditional Name: 3-[[2-[[2-anilino-3-(m-tolyl)propanoyl]amino]-2-cyano-ethoxy]methyl]benzoic acid allyl ester Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C(=O)NC(COCC2=CC=CC(=C2)C(=O)OCC=C)C#N)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CC(C(=O)NC(COCC2=CC=CC(=C2)C(=O)OCC=C)C#N)NC3=CC=CC=C3

InChI

InChI=1S/C30H31N3O4/c1-3-15-37-30(35)25-12-8-11-24(17-25)20-36-21-27(19-31)33-29(34)28(32-26-13-5-4-6-14-26)18-23-10-7-9-22(2)16-23/h3-14,16-17,27-28,32H,1,15,18,20-21H2,2H3,(H,33,34)