3-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]carbonyl-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-2-benzothiophene-1-carboxylic acid

Systemtic Name: 3-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]carbonyl-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-2-benzothiophene-1-carboxylic acid Openeye Name: 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophene-1-carboxylic acid CAS Name: 3-[[4-[3-(aminomethyl)phenyl]-1-piperidinyl]-oxomethyl]-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophene-1-carboxylic acid IUPAC Name: 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-5,5-dimethyl-7-oxo-4,6-dihydro-2-benzothiophene-1-carboxylic acid Traditional Name: 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-7-keto-5,5-dimethyl-4,6-dihydroisobenzothiophene-1-carboxylic acid Formula: C24H28N2O4S MolecularWeight: 440.55512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)C(=O)O)C(=O)N3CCC(CC3)C4=CC(=CC=C4)CN)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)C(=O)O)C(=O)N3CCC(CC3)C4=CC(=CC=C4)CN)C

InChI

InChI=1S/C24H28N2O4S/c1-24(2)11-17-19(18(27)12-24)21(23(29)30)31-20(17)22(28)26-8-6-15(7-9-26)16-5-3-4-14(10-16)13-25/h3-5,10,15H,6-9,11-13,25H2,1-2H3,(H,29,30)