1-[3-[2-methyl-4-(5-phenylpentoxy)phenyl]-3-oxidanylidene-propyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[2-methyl-4-(5-phenylpentoxy)phenyl]-3-oxidanylidene-propyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[2-methyl-4-(5-phenylpentoxy)phenyl]-3-oxo-propyl]piperidine-4-carboxylic acid CAS Name: 1-[3-[2-methyl-4-(5-phenylpentoxy)phenyl]-3-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[2-methyl-4-(5-phenylpentoxy)phenyl]-3-oxopropyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-keto-3-[2-methyl-4-(5-phenylpentoxy)phenyl]propyl]isonipecotic acid Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCCC2=CC=CC=C2)C(=O)CCN3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCCC2=CC=CC=C2)C(=O)CCN3CCC(CC3)C(=O)O

InChI

InChI=1S/C27H35NO4/c1-21-20-24(32-19-7-3-6-10-22-8-4-2-5-9-22)11-12-25(21)26(29)15-18-28-16-13-23(14-17-28)27(30)31/h2,4-5,8-9,11-12,20,23H,3,6-7,10,13-19H2,1H3,(H,30,31)