4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]piperidine-1-carboxylic acid Openeye Name: 4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]piperidine-1-carboxylic acid CAS Name: 4-[4-[[(3-cyano-1H-indol-5-yl)-ethylamino]-oxomethyl]phenyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-[(3-cyano-1H-indol-5-yl)-ethylcarbamoyl]phenyl]piperidine-1-carboxylic acid Traditional Name: 4-[4-[(3-cyano-1H-indol-5-yl)-ethyl-carbamoyl]phenyl]piperidine-1-carboxylic acid Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)NC=C2C#N)C(=O)C3=CC=C(C=C3)C4CCN(CC4)C(=O)O

Isomeric SMILES

CCN(C1=CC2=C(C=C1)NC=C2C#N)C(=O)C3=CC=C(C=C3)C4CCN(CC4)C(=O)O

InChI

InChI=1S/C24H24N4O3/c1-2-28(20-7-8-22-21(13-20)19(14-25)15-26-22)23(29)18-5-3-16(4-6-18)17-9-11-27(12-10-17)24(30)31/h3-8,13,15,17,26H,2,9-12H2,1H3,(H,30,31)