2-[[3-(5-chloranyl-6-oxidanyl-naphthalen-2-yl)-2-methyl-propanoyl]amino]benzoic acid

Systemtic Name: 2-[[3-(5-chloranyl-6-oxidanyl-naphthalen-2-yl)-2-methyl-propanoyl]amino]benzoic acid Openeye Name: 2-[[3-(5-chloro-6-hydroxy-2-naphthyl)-2-methyl-propanoyl]amino]benzoic acid CAS Name: 2-[[3-(5-chloro-6-hydroxy-2-naphthalenyl)-2-methyl-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[[3-(5-chloro-6-hydroxynaphthalen-2-yl)-2-methylpropanoyl]amino]benzoic acid Traditional Name: 2-[[3-(5-chloro-6-hydroxy-2-naphthyl)-2-methyl-propanoyl]amino]benzoic acid Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)C(=C(C=C2)O)Cl)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)C(=C(C=C2)O)Cl)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H18ClNO4/c1-12(20(25)23-17-5-3-2-4-16(17)21(26)27)10-13-6-8-15-14(11-13)7-9-18(24)19(15)22/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27)