3-oxidanylidene-3-[7-[(phenylmethyl)carbamoylamino]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid

Systemtic Name: 3-oxidanylidene-3-[7-[(phenylmethyl)carbamoylamino]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid Openeye Name: 3-[7-(benzylcarbamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxo-propanoic acid CAS Name: 3-oxo-3-[7-[[oxo-[(phenylmethyl)amino]methyl]amino]-3,4-dihydro-2H-quinolin-1-yl]propanoic acid IUPAC Name: 3-[7-(benzylcarbamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropanoic acid Traditional Name: 3-[7-(benzylcarbamoylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-keto-propionic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)NC(=O)NCC3=CC=CC=C3)N(C1)C(=O)CC(=O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2)NC(=O)NCC3=CC=CC=C3)N(C1)C(=O)CC(=O)O

InChI

InChI=1S/C20H21N3O4/c24-18(12-19(25)26)23-10-4-7-15-8-9-16(11-17(15)23)22-20(27)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,25,26)(H2,21,22,27)