methyl 3-(3-carbamimidoylphenyl)-7-(4-carbamimidoylphenyl)heptanoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-7-(4-carbamimidoylphenyl)heptanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-7-(4-carbamimidoylphenyl)heptanoate CAS Name: 3-(3-carbamimidoylphenyl)-7-(4-carbamimidoylphenyl)heptanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-7-(4-carbamimidoylphenyl)heptanoate Traditional Name: 3-(3-amidinophenyl)-7-(4-amidinophenyl)enanthic acid methyl ester Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCCCC1=CC=C(C=C1)C(=N)N)C2=CC=CC(=C2)C(=N)N

Isomeric SMILES

COC(=O)CC(CCCCC1=CC=C(C=C1)C(=N)N)C2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C22H28N4O2/c1-28-20(27)14-18(17-7-4-8-19(13-17)22(25)26)6-3-2-5-15-9-11-16(12-10-15)21(23)24/h4,7-13,18H,2-3,5-6,14H2,1H3,(H3,23,24)(H3,25,26)