methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(3-methoxy-4-methyl-phenyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(3-methoxy-4-methyl-phenyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(3-methoxy-4-methyl-phenyl)benzoyl]amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[[4-(3-methoxy-4-methylphenyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(3-methoxy-4-methylphenyl)benzoyl]amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[[4-(3-methoxy-4-methyl-phenyl)benzoyl]amino]butyric acid methyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)NC(C)C(CC3=CC=CC(=C3)C(=N)N)C(=O)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)NC(C)C(CC3=CC=CC(=C3)C(=N)N)C(=O)OC)OC

InChI

InChI=1S/C28H31N3O4/c1-17-8-9-22(16-25(17)34-3)20-10-12-21(13-11-20)27(32)31-18(2)24(28(33)35-4)15-19-6-5-7-23(14-19)26(29)30/h5-14,16,18,24H,15H2,1-4H3,(H3,29,30)(H,31,32)