3-(3-azanyl-4-phenyl-phenyl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate

Systemtic Name: 3-(3-azanyl-4-phenyl-phenyl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate Openeye Name: 3-(3-amino-4-phenyl-phenyl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate CAS Name: 5-(4-carbamimidoylphenyl)pentanoic acid [3-(3-amino-4-phenylphenyl)-1-oxopropyl] ester IUPAC Name: 3-(3-amino-4-phenylphenyl)propanoyl 5-(4-carbamimidoylphenyl)pentanoate Traditional Name: 5-(4-amidinophenyl)valeric acid 3-(3-amino-4-phenyl-phenyl)propanoyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)CCC(=O)OC(=O)CCCCC3=CC=C(C=C3)C(=N)N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)CCC(=O)OC(=O)CCCCC3=CC=C(C=C3)C(=N)N)N

InChI

InChI=1S/C27H29N3O3/c28-24-18-20(12-16-23(24)21-7-2-1-3-8-21)13-17-26(32)33-25(31)9-5-4-6-19-10-14-22(15-11-19)27(29)30/h1-3,7-8,10-12,14-16,18H,4-6,9,13,17,28H2,(H3,29,30)