methyl 2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-yl]-3-(dimethylamino)-3-oxidanylidene-propanoate

Systemtic Name: methyl 2-[1-[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylpiperidin-4-yl]-3-(dimethylamino)-3-oxidanylidene-propanoate Openeye Name: methyl 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-4-piperidyl]-3-(dimethylamino)-3-oxo-propanoate CAS Name: 2-[1-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-4-piperidinyl]-3-(dimethylamino)-3-oxopropanoic acid methyl ester IUPAC Name: methyl 2-[1-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]piperidin-4-yl]-3-(dimethylamino)-3-oxopropanoate Traditional Name: 2-[1-[1-(4-amidinophenyl)isonipecotoyl]-4-piperidyl]-3-(dimethylamino)-3-keto-propionic acid methyl ester Formula: C24H35N5O4 MolecularWeight: 457.5658

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N)C(=O)OC

Isomeric SMILES

CN(C)C(=O)C(C1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C24H35N5O4/c1-27(2)23(31)20(24(32)33-3)16-8-14-29(15-9-16)22(30)18-10-12-28(13-11-18)19-6-4-17(5-7-19)21(25)26/h4-7,16,18,20H,8-15H2,1-3H3,(H3,25,26)