methyl 4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(2-ethoxy-2-oxidanylidene-ethyl)piperidine-3-carboxylate

Systemtic Name: methyl 4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(2-ethoxy-2-oxidanylidene-ethyl)piperidine-3-carboxylate Openeye Name: methyl 4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(2-ethoxy-2-oxo-ethyl)piperidine-3-carboxylate CAS Name: 4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-(2-ethoxy-2-oxoethyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylate Traditional Name: 4-[4-(4-amidinophenyl)piperazino]-1-(2-ethoxy-2-keto-ethyl)nipecotic acid methyl ester Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC(C(C1)C(=O)OC)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CN1CCC(C(C1)C(=O)OC)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H33N5O4/c1-3-31-20(28)15-25-9-8-19(18(14-25)22(29)30-2)27-12-10-26(11-13-27)17-6-4-16(5-7-17)21(23)24/h4-7,18-19H,3,8-15H2,1-2H3,(H3,23,24)