methyl 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]methyl]piperidin-3-yl]ethanoate

Systemtic Name: methyl 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]methyl]piperidin-3-yl]ethanoate Openeye Name: methyl 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]methyl]-3-piperidyl]acetate CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]methyl]-3-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]methyl]piperidin-3-yl]acetate Traditional Name: 2-[1-[4-(4-amidinophenyl)benzyl]-3-piperidyl]acetic acid methyl ester Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCCN(C1)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC1CCCN(C1)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H27N3O2/c1-27-21(26)13-17-3-2-12-25(15-17)14-16-4-6-18(7-5-16)19-8-10-20(11-9-19)22(23)24/h4-11,17H,2-3,12-15H2,1H3,(H3,23,24)