3-methylbutyl 4-(2,3-diphenylprop-2-enoylamino)benzoate

Systemtic Name: 3-methylbutyl 4-(2,3-diphenylprop-2-enoylamino)benzoate Openeye Name: isopentyl 4-(2,3-diphenylprop-2-enoylamino)benzoate CAS Name: 4-[(1-oxo-2,3-diphenylprop-2-enyl)amino]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-(2,3-diphenylprop-2-enoylamino)benzoate Traditional Name: 4-[(2,3-diphenylacryloyl)amino]benzoic acid isoamyl ester Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H27NO3/c1-20(2)17-18-31-27(30)23-13-15-24(16-14-23)28-26(29)25(22-11-7-4-8-12-22)19-21-9-5-3-6-10-21/h3-16,19-20H,17-18H2,1-2H3,(H,28,29)