methyl 4-[(3-carbamimidoylphenyl)-[2-(4-carbamimidoylphenyl)ethyl]amino]butanoate

Systemtic Name: methyl 4-[(3-carbamimidoylphenyl)-[2-(4-carbamimidoylphenyl)ethyl]amino]butanoate Openeye Name: methyl 4-[3-carbamimidoyl-N-[2-(4-carbamimidoylphenyl)ethyl]anilino]butanoate CAS Name: 4-[3-carbamimidoyl-N-[2-(4-carbamimidoylphenyl)ethyl]anilino]butanoic acid methyl ester IUPAC Name: methyl 4-[3-carbamimidoyl-N-[2-(4-carbamimidoylphenyl)ethyl]anilino]butanoate Traditional Name: 4-[3-amidino-N-[2-(4-amidinophenyl)ethyl]anilino]butyric acid methyl ester Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN(CCC1=CC=C(C=C1)C(=N)N)C2=CC=CC(=C2)C(=N)N

Isomeric SMILES

COC(=O)CCCN(CCC1=CC=C(C=C1)C(=N)N)C2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C21H27N5O2/c1-28-19(27)6-3-12-26(18-5-2-4-17(14-18)21(24)25)13-11-15-7-9-16(10-8-15)20(22)23/h2,4-5,7-10,14H,3,6,11-13H2,1H3,(H3,22,23)(H3,24,25)