2-[ethyl-[2-(hexanoylamino)phenyl]carbamoyl]-1-phenyl-piperidine-2-carboxylic acid

Systemtic Name: 2-[ethyl-[2-(hexanoylamino)phenyl]carbamoyl]-1-phenyl-piperidine-2-carboxylic acid Openeye Name: 2-[ethyl-[2-(hexanoylamino)phenyl]carbamoyl]-1-phenyl-piperidine-2-carboxylic acid CAS Name: 2-[[N-ethyl-2-(1-oxohexylamino)anilino]-oxomethyl]-1-phenyl-2-piperidinecarboxylic acid IUPAC Name: 2-[ethyl-[2-(hexanoylamino)phenyl]carbamoyl]-1-phenylpiperidine-2-carboxylic acid Traditional Name: 2-[[2-(caproylamino)phenyl]-ethyl-carbamoyl]-1-phenyl-pipecolinic acid Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=CC=C1N(CC)C(=O)C2(CCCCN2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCC(=O)NC1=CC=CC=C1N(CC)C(=O)C2(CCCCN2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H35N3O4/c1-3-5-7-18-24(31)28-22-16-10-11-17-23(22)29(4-2)25(32)27(26(33)34)19-12-13-20-30(27)21-14-8-6-9-15-21/h6,8-11,14-17H,3-5,7,12-13,18-20H2,1-2H3,(H,28,31)(H,33,34)