3-azanyl-10-[2,2-bis[(4-methylphenyl)methyl]piperidin-1-yl]-4-oxidanylidene-decanoic acid

Systemtic Name: 3-azanyl-10-[2,2-bis[(4-methylphenyl)methyl]piperidin-1-yl]-4-oxidanylidene-decanoic acid Openeye Name: 3-amino-10-[2,2-bis(p-tolylmethyl)-1-piperidyl]-4-oxo-decanoic acid CAS Name: 3-amino-10-[2,2-bis[(4-methylphenyl)methyl]-1-piperidinyl]-4-oxodecanoic acid IUPAC Name: 3-amino-10-[2,2-bis[(4-methylphenyl)methyl]piperidin-1-yl]-4-oxodecanoic acid Traditional Name: 3-amino-10-[2,2-bis(4-methylbenzyl)piperidino]-4-keto-capric acid Formula: C31H44N2O3 MolecularWeight: 492.69266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2(CCCCN2CCCCCCC(=O)C(CC(=O)O)N)CC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2(CCCCN2CCCCCCC(=O)C(CC(=O)O)N)CC3=CC=C(C=C3)C

InChI

InChI=1S/C31H44N2O3/c1-24-10-14-26(15-11-24)22-31(23-27-16-12-25(2)13-17-27)18-6-8-20-33(31)19-7-4-3-5-9-29(34)28(32)21-30(35)36/h10-17,28H,3-9,18-23,32H2,1-2H3,(H,35,36)