2-(3-azanylpropyl)-5-methoxy-3,6-bis(oxidanylidene)-1-phenylmethoxycarbonyl-piperidine-2-carboxylic acid

Systemtic Name: 2-(3-azanylpropyl)-5-methoxy-3,6-bis(oxidanylidene)-1-phenylmethoxycarbonyl-piperidine-2-carboxylic acid Openeye Name: 2-(3-aminopropyl)-1-benzyloxycarbonyl-5-methoxy-3,6-dioxo-piperidine-2-carboxylic acid CAS Name: 2-(3-aminopropyl)-5-methoxy-3,6-dioxo-1-phenylmethoxycarbonyl-2-piperidinecarboxylic acid IUPAC Name: 2-(3-aminopropyl)-5-methoxy-3,6-dioxo-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid Traditional Name: 2-(3-aminopropyl)-1-carbobenzoxy-3,6-diketo-5-methoxy-pipecolinic acid Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(=O)C(N(C1=O)C(=O)OCC2=CC=CC=C2)(CCCN)C(=O)O

Isomeric SMILES

COC1CC(=O)C(N(C1=O)C(=O)OCC2=CC=CC=C2)(CCCN)C(=O)O

InChI

InChI=1S/C18H22N2O7/c1-26-13-10-14(21)18(16(23)24,8-5-9-19)20(15(13)22)17(25)27-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,19H2,1H3,(H,23,24)