2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]-2-naphthyl]-5-[(1-methoxycarbonyl-2-methyl-propyl)carbamoyl]benzoic acid CAS Name: 2-[3-[(4-carbamimidoylanilino)-oxomethyl]-2-naphthalenyl]-5-[[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[3-[(4-carbamimidoylphenyl)carbamoyl]naphthalen-2-yl]-5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[3-[(4-amidinophenyl)carbamoyl]-2-naphthyl]-5-[(1-carbomethoxy-2-methyl-propyl)carbamoyl]benzoic acid Formula: C32H30N4O6 MolecularWeight: 566.6038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C32H30N4O6/c1-17(2)27(32(41)42-3)36-29(37)21-10-13-23(26(16-21)31(39)40)24-14-19-6-4-5-7-20(19)15-25(24)30(38)35-22-11-8-18(9-12-22)28(33)34/h4-17,27H,1-3H3,(H3,33,34)(H,35,38)(H,36,37)(H,39,40)