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

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(3-nitrophenyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(3-nitrophenyl)benzoyl]amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[[4-(3-nitrophenyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[[4-(3-nitrophenyl)benzoyl]amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[[4-(3-nitrophenyl)benzoyl]amino]butyric acid methyl ester Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C(=N)N)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O5/c1-16(23(26(32)35-2)14-17-5-3-7-21(13-17)24(27)28)29-25(31)19-11-9-18(10-12-19)20-6-4-8-22(15-20)30(33)34/h3-13,15-16,23H,14H2,1-2H3,(H3,27,28)(H,29,31)