6-[5-azanyl-2-(6-cyanonaphthalen-2-yl)oxy-phenyl]-2-methyl-3-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 6-[5-azanyl-2-(6-cyanonaphthalen-2-yl)oxy-phenyl]-2-methyl-3-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 6-[5-amino-2-[(6-cyano-2-naphthyl)oxy]phenyl]-3-(isobutylcarbamoyl)-2-methyl-benzoic acid CAS Name: 6-[5-amino-2-[(6-cyano-2-naphthalenyl)oxy]phenyl]-2-methyl-3-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 6-[5-amino-2-(6-cyanonaphthalen-2-yl)oxyphenyl]-2-methyl-3-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 6-[5-amino-2-(6-cyano-2-naphthoxy)phenyl]-3-(isobutylcarbamoyl)-2-methyl-benzoic acid Formula: C30H27N3O4 MolecularWeight: 493.55308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)O)C2=C(C=CC(=C2)N)OC3=CC4=C(C=C3)C=C(C=C4)C#N)C(=O)NCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)O)C2=C(C=CC(=C2)N)OC3=CC4=C(C=C3)C=C(C=C4)C#N)C(=O)NCC(C)C

InChI

InChI=1S/C30H27N3O4/c1-17(2)16-33-29(34)24-9-10-25(28(18(24)3)30(35)36)26-14-22(32)7-11-27(26)37-23-8-6-20-12-19(15-31)4-5-21(20)13-23/h4-14,17H,16,32H2,1-3H3,(H,33,34)(H,35,36)