2-methylpropyl 2-[1-[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylpiperidin-4-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-[1-[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylpiperidin-4-yl]ethanoate Openeye Name: isobutyl 2-[1-[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]-4-piperidyl]acetate CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]-4-piperidinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[1-[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[4-(4-amidinophenyl)piperazine-1-carbonyl]-4-piperidyl]acetic acid isobutyl ester Formula: C23H35N5O3 MolecularWeight: 429.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC1CCN(CC1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)COC(=O)CC1CCN(CC1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H35N5O3/c1-17(2)16-31-21(29)15-18-7-9-27(10-8-18)23(30)28-13-11-26(12-14-28)20-5-3-19(4-6-20)22(24)25/h3-6,17-18H,7-16H2,1-2H3,(H3,24,25)