2-[1-[1-(4-carbamimidoylphenyl)carbonylpiperidin-3-yl]carbonylpiperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[1-(4-carbamimidoylphenyl)carbonylpiperidin-3-yl]carbonylpiperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[1-(4-carbamimidoylbenzoyl)piperidine-3-carbonyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[[1-[(4-carbamimidoylphenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[1-(4-carbamimidoylbenzoyl)piperidine-3-carbonyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[1-(4-amidinobenzoyl)nipecotoyl]-4-piperidyl]acetic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)N3CCC(CC3)CC(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)N3CCC(CC3)CC(=O)O

InChI

InChI=1S/C21H28N4O4/c22-19(23)15-3-5-16(6-4-15)20(28)25-9-1-2-17(13-25)21(29)24-10-7-14(8-11-24)12-18(26)27/h3-6,14,17H,1-2,7-13H2,(H3,22,23)(H,26,27)