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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methoxy-phenyl]-5-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methoxy-phenyl]-5-[(1-methoxycarbonyl-2-methyl-propyl)carbamoyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-methoxyphenyl]-5-[[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methoxyphenyl]-5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-methoxy-phenyl]-5-[(1-carbomethoxy-2-methyl-propyl)carbamoyl]benzoic acid benzyl ester Formula: C36H36N4O7 MolecularWeight: 636.69364

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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)OCC4=CC=CC=C4

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)OCC4=CC=CC=C4

InChI

InChI=1S/C36H36N4O7/c1-21(2)31(36(44)46-4)40-33(41)24-12-16-28(30(18-24)35(43)47-20-22-8-6-5-7-9-22)27-17-15-26(45-3)19-29(27)34(42)39-25-13-10-23(11-14-25)32(37)38/h5-19,21,31H,20H2,1-4H3,(H3,37,38)(H,39,42)(H,40,41)