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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methoxy-phenyl]-5-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methoxy-phenyl]-5-[(1-methoxycarbonyl-2-methyl-propyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-methoxyphenyl]-5-[[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methoxyphenyl]-5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-methoxy-phenyl]-5-[(1-carbomethoxy-2-methyl-propyl)carbamoyl]benzoic acid Formula: C29H30N4O7 MolecularWeight: 546.5711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C29H30N4O7/c1-15(2)24(29(38)40-4)33-26(34)17-7-11-21(23(13-17)28(36)37)20-12-10-19(39-3)14-22(20)27(35)32-18-8-5-16(6-9-18)25(30)31/h5-15,24H,1-4H3,(H3,30,31)(H,32,35)(H,33,34)(H,36,37)