2-acetamido-3-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]-3,4-dihydro-2H-quinolin-6-yl]propanoic acid

Systemtic Name: 2-acetamido-3-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]-3,4-dihydro-2H-quinolin-6-yl]propanoic acid Openeye Name: 2-acetamido-3-[1-[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]-3,4-dihydro-2H-quinolin-6-yl]propanoic acid CAS Name: 2-acetamido-3-[1-[2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]-3,4-dihydro-2H-quinolin-6-yl]propanoic acid IUPAC Name: 2-acetamido-3-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]-3,4-dihydro-2H-quinolin-6-yl]propanoic acid Traditional Name: 2-acetamido-3-[1-[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]-3,4-dihydro-2H-quinolin-6-yl]propionic acid Formula: C31H34N4O6 MolecularWeight: 558.62486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)N3CCCC4=C3C=CC(=C4)CC(C(=O)O)NC(=O)C)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)N3CCCC4=C3C=CC(=C4)CC(C(=O)O)NC(=O)C)OC

InChI

InChI=1S/C31H34N4O6/c1-19-7-4-5-9-24(19)33-31(40)34-25-12-10-22(17-28(25)41-3)18-29(37)35-14-6-8-23-15-21(11-13-27(23)35)16-26(30(38)39)32-20(2)36/h4-5,7,9-13,15,17,26H,6,8,14,16,18H2,1-3H3,(H,32,36)(H,38,39)(H2,33,34,40)