2-[1-carbamimidoyl-2-(2-phenylmethoxycarbonylphenyl)piperidin-4-yl]propanoate hydrochloride

Systemtic Name: 2-[1-carbamimidoyl-2-(2-phenylmethoxycarbonylphenyl)piperidin-4-yl]propanoate hydrochloride Openeye Name: 2-[2-(2-benzyloxycarbonylphenyl)-1-carbamimidoyl-4-piperidyl]propanoate hydrochloride CAS Name: 2-[1-carbamimidoyl-2-(2-phenylmethoxycarbonylphenyl)-4-piperidinyl]propanoate hydrochloride IUPAC Name: 2-[1-carbamimidoyl-2-(2-phenylmethoxycarbonylphenyl)piperidin-4-yl]propanoate hydrochloride Traditional Name: 2-[1-amidino-2-(2-carbobenzoxyphenyl)-4-piperidyl]propionate hydrochloride Formula: C23H27ClN3O4- MolecularWeight: 444.93118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(C(C1)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3)C(=N)N)C(=O)[O-].Cl

Isomeric SMILES

CC(C1CCN(C(C1)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3)C(=N)N)C(=O)[O-].Cl

InChI

InChI=1S/C23H27N3O4.ClH/c1-15(21(27)28)17-11-12-26(23(24)25)20(13-17)18-9-5-6-10-19(18)22(29)30-14-16-7-3-2-4-8-16;/h2-10,15,17,20H,11-14H2,1H3,(H3,24,25)(H,27,28);1H/p-1