2-[(3,4-dimethoxyphenyl)methyl]-3-ethoxycarbonyl-1-phenylmethoxycarbonyl-piperidine-3-carboxylic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-ethoxycarbonyl-1-phenylmethoxycarbonyl-piperidine-3-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-2-[(3,4-dimethoxyphenyl)methyl]-3-ethoxycarbonyl-piperidine-3-carboxylic acid CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-ethoxycarbonyl-1-phenylmethoxycarbonyl-3-piperidinecarboxylic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-ethoxycarbonyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid Traditional Name: 3-carbethoxy-1-carbobenzoxy-2-veratryl-nipecotic acid Formula: C26H31NO8 MolecularWeight: 485.52624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1CC2=CC(=C(C=C2)OC)OC)C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C1(CCCN(C1CC2=CC(=C(C=C2)OC)OC)C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H31NO8/c1-4-34-24(30)26(23(28)29)13-8-14-27(25(31)35-17-18-9-6-5-7-10-18)22(26)16-19-11-12-20(32-2)21(15-19)33-3/h5-7,9-12,15,22H,4,8,13-14,16-17H2,1-3H3,(H,28,29)