2-(2-oxidanylidenepyrrolidin-1-yl)ethyl 2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoate

Systemtic Name: 2-(2-oxidanylidenepyrrolidin-1-yl)ethyl 2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoate Openeye Name: 2-(2-oxopyrrolidin-1-yl)ethyl 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-4-piperidyl]acetate CAS Name: 2-[1-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-4-piperidinyl]acetic acid 2-(2-oxo-1-pyrrolidinyl)ethyl ester IUPAC Name: 2-(2-oxopyrrolidin-1-yl)ethyl 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[1-(4-amidinophenyl)isonipecotoyl]-4-piperidyl]acetic acid 2-(2-ketopyrrolidino)ethyl ester Formula: C26H37N5O4 MolecularWeight: 483.60308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCOC(=O)CC2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(=O)N(C1)CCOC(=O)CC2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H37N5O4/c27-25(28)20-3-5-22(6-4-20)29-14-9-21(10-15-29)26(34)31-12-7-19(8-13-31)18-24(33)35-17-16-30-11-1-2-23(30)32/h3-6,19,21H,1-2,7-18H2,(H3,27,28)