(2S)-2-[[3-[(2-chloranyl-6-methyl-phenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]-2-[(1S)-cyclohexa-2,4-dien-1-yl]ethanoic acid

Systemtic Name: (2S)-2-[[3-[(2-chloranyl-6-methyl-phenyl)carbamoylamino]naphthalen-2-yl]carbonylamino]-2-[(1S)-cyclohexa-2,4-dien-1-yl]ethanoic acid Openeye Name: (2S)-2-[[3-[(2-chloro-6-methyl-phenyl)carbamoylamino]naphthalene-2-carbonyl]amino]-2-[(1S)-cyclohexa-2,4-dien-1-yl]acetic acid CAS Name: (2S)-2-[[[3-[[(2-chloro-6-methylanilino)-oxomethyl]amino]-2-naphthalenyl]-oxomethyl]amino]-2-[(1S)-1-cyclohexa-2,4-dienyl]acetic acid IUPAC Name: (2S)-2-[[3-[(2-chloro-6-methylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]-2-[(1S)-cyclohexa-2,4-dien-1-yl]acetic acid Traditional Name: (2S)-2-[[3-[(2-chloro-6-methyl-phenyl)carbamoylamino]-2-naphthoyl]amino]-2-[(1S)-cyclohexa-2,4-dien-1-yl]acetic acid Formula: C27H24ClN3O4 MolecularWeight: 489.95016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NC(C4CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)N[C@@H]([C@H]4CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H24ClN3O4/c1-16-8-7-13-21(28)23(16)31-27(35)29-22-15-19-12-6-5-11-18(19)14-20(22)25(32)30-24(26(33)34)17-9-3-2-4-10-17/h2-9,11-15,17,24H,10H2,1H3,(H,30,32)(H,33,34)(H2,29,31,35)/t17-,24+/m1/s1