3-phenylpropyl 4-oxidanylidene-4-[(4-propan-2-yloxyphenyl)amino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(4-propan-2-yloxyphenyl)amino]butanoate Openeye Name: 3-phenylpropyl 4-(4-isopropoxyanilino)-4-oxo-butanoate CAS Name: 4-oxo-4-(4-propan-2-yloxyanilino)butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-(4-propan-2-yloxyanilino)butanoate Traditional Name: 4-(4-isopropoxyanilino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO4/c1-17(2)27-20-12-10-19(11-13-20)23-21(24)14-15-22(25)26-16-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,17H,6,9,14-16H2,1-2H3,(H,23,24)