ethyl 4-azanylbenzoate; N-(2-methylphenyl)-3-(propylamino)butanamide

Systemtic Name: ethyl 4-azanylbenzoate; N-(2-methylphenyl)-3-(propylamino)butanamide Openeye Name: ethyl 4-aminobenzoate; N-(o-tolyl)-3-(propylamino)butanamide CAS Name: 4-aminobenzoic acid ethyl ester; N-(2-methylphenyl)-3-(propylamino)butanamide IUPAC Name: ethyl 4-aminobenzoate; N-(2-methylphenyl)-3-(propylamino)butanamide Traditional Name: 4-aminobenzoic acid ethyl ester; N-(o-tolyl)-3-(propylamino)butyramide Formula: C23H33N3O3 MolecularWeight: 399.52642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C)CC(=O)NC1=CC=CC=C1C.CCOC(=O)C1=CC=C(C=C1)N

Isomeric SMILES

CCCNC(C)CC(=O)NC1=CC=CC=C1C.CCOC(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C14H22N2O.C9H11NO2/c1-4-9-15-12(3)10-14(17)16-13-8-6-5-7-11(13)2;1-2-12-9(11)7-3-5-8(10)6-4-7/h5-8,12,15H,4,9-10H2,1-3H3,(H,16,17);3-6H,2,10H2,1H3