(2S)-1-[4-[4-[(4-butylphenyl)carbamoylamino]phenyl]phenyl]carbonylpiperidine-2-carboxylic acid

Systemtic Name: (2S)-1-[4-[4-[(4-butylphenyl)carbamoylamino]phenyl]phenyl]carbonylpiperidine-2-carboxylic acid Openeye Name: (2S)-1-[4-[4-[(4-butylphenyl)carbamoylamino]phenyl]benzoyl]piperidine-2-carboxylic acid CAS Name: (2S)-1-[[4-[4-[[(4-butylanilino)-oxomethyl]amino]phenyl]phenyl]-oxomethyl]-2-piperidinecarboxylic acid IUPAC Name: (2S)-1-[4-[4-[(4-butylphenyl)carbamoylamino]phenyl]benzoyl]piperidine-2-carboxylic acid Traditional Name: (2S)-1-[4-[4-[(4-butylphenyl)carbamoylamino]phenyl]benzoyl]pipecolinic acid Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N4CCCCC4C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N4CCCC[C@H]4C(=O)O

InChI

InChI=1S/C30H33N3O4/c1-2-3-6-21-8-16-25(17-9-21)31-30(37)32-26-18-14-23(15-19-26)22-10-12-24(13-11-22)28(34)33-20-5-4-7-27(33)29(35)36/h8-19,27H,2-7,20H2,1H3,(H,35,36)(H2,31,32,37)/t27-/m0/s1