2-[4-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butanoyl]phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butanoyl]phenyl]-2-methyl-propanoic acid Openeye Name: 2-[4-[4-[4-(1H-indol-3-yl)-1-piperidyl]butanoyl]phenyl]-2-methyl-propanoic acid CAS Name: 2-[4-[4-[4-(1H-indol-3-yl)-1-piperidinyl]-1-oxobutyl]phenyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoic acid Traditional Name: 2-[4-[4-[4-(1H-indol-3-yl)piperidino]butanoyl]phenyl]-2-methyl-propionic acid Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C27H32N2O3/c1-27(2,26(31)32)21-11-9-20(10-12-21)25(30)8-5-15-29-16-13-19(14-17-29)23-18-28-24-7-4-3-6-22(23)24/h3-4,6-7,9-12,18-19,28H,5,8,13-17H2,1-2H3,(H,31,32)