3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-4-(4-phenylbutylamino)benzoic acid

Systemtic Name: 3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-4-(4-phenylbutylamino)benzoic acid Openeye Name: 3-[(3-methoxy-3-oxo-propanoyl)amino]-4-(4-phenylbutylamino)benzoic acid CAS Name: 3-[(3-methoxy-1,3-dioxopropyl)amino]-4-(4-phenylbutylamino)benzoic acid IUPAC Name: 3-[(3-methoxy-3-oxopropanoyl)amino]-4-(4-phenylbutylamino)benzoic acid Traditional Name: 3-[(3-keto-3-methoxy-propanoyl)amino]-4-(4-phenylbutylamino)benzoic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)NC1=C(C=CC(=C1)C(=O)O)NCCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC(=O)NC1=C(C=CC(=C1)C(=O)O)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5/c1-28-20(25)14-19(24)23-18-13-16(21(26)27)10-11-17(18)22-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13,22H,5-6,9,12,14H2,1H3,(H,23,24)(H,26,27)