1-[2-[(2-azanyl-2-methyl-propanoyl)amino]-3-phenylmethoxy-propanoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(2-azanyl-2-methyl-propanoyl)amino]-3-phenylmethoxy-propanoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[2-[(2-amino-2-methyl-propanoyl)amino]-3-benzyloxy-propanoyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[2-[(2-amino-2-methyl-1-oxopropyl)amino]-1-oxo-3-phenylmethoxypropyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(2-amino-2-methylpropanoyl)amino]-3-phenylmethoxypropanoyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[2-[(2-amino-2-methyl-propanoyl)amino]-3-benzoxy-propanoyl]-4-phenyl-isonipecotic acid Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C26H33N3O5/c1-25(2,27)23(31)28-21(18-34-17-19-9-5-3-6-10-19)22(30)29-15-13-26(14-16-29,24(32)33)20-11-7-4-8-12-20/h3-12,21H,13-18,27H2,1-2H3,(H,28,31)(H,32,33)