2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-4-methyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-4-methyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-2-naphthyl)oxy]-4-methyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-2-naphthalenyl)oxy]-4-methylphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-4-methylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-(6-amidino-2-naphthoxy)-4-methyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C30H29N3O4 MolecularWeight: 495.56896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(C)C)C(=O)O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCC(C)C)C(=O)O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C30H29N3O4/c1-17(2)16-33-29(34)22-8-11-24(26(15-22)30(35)36)25-10-4-18(3)12-27(25)37-23-9-7-19-13-21(28(31)32)6-5-20(19)14-23/h4-15,17H,16H2,1-3H3,(H3,31,32)(H,33,34)(H,35,36)