3-azanylidene-6-(dimethylamino)-2-[2-[4-methoxy-3-(4-oxidanylpiperidin-1-yl)-5-propan-2-yl-phenyl]-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid

Systemtic Name: 3-azanylidene-6-(dimethylamino)-2-[2-[4-methoxy-3-(4-oxidanylpiperidin-1-yl)-5-propan-2-yl-phenyl]-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid Openeye Name: 6-(dimethylamino)-2-[2-[3-(4-hydroxy-1-piperidyl)-5-isopropyl-4-methoxy-phenyl]-2-oxo-ethyl]-3-imino-isoindoline-5-carboxylic acid CAS Name: 6-(dimethylamino)-2-[2-[3-(4-hydroxy-1-piperidinyl)-4-methoxy-5-propan-2-ylphenyl]-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid IUPAC Name: 6-(dimethylamino)-2-[2-[3-(4-hydroxypiperidin-1-yl)-4-methoxy-5-propan-2-ylphenyl]-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid Traditional Name: 6-(dimethylamino)-2-[2-[3-(4-hydroxypiperidino)-5-isopropyl-4-methoxy-phenyl]-2-keto-ethyl]-3-imino-isoindoline-5-carboxylic acid Formula: C28H36N4O5 MolecularWeight: 508.60924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)O)N(C)C)N4CCC(CC4)O)OC

Isomeric SMILES

CC(C)C1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)O)N(C)C)N4CCC(CC4)O)OC

InChI

InChI=1S/C28H36N4O5/c1-16(2)20-10-17(11-24(26(20)37-5)31-8-6-19(33)7-9-31)25(34)15-32-14-18-12-23(30(3)4)22(28(35)36)13-21(18)27(32)29/h10-13,16,19,29,33H,6-9,14-15H2,1-5H3,(H,35,36)