3-azanylidene-6-ethoxy-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-ethoxy-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-ethoxy-2-[2-[3-(4-hydroxy-1-piperidyl)-5-isopropyl-4-methoxy-phenyl]-2-oxo-ethyl]-3-imino-isoindoline-5-carboxylic acid CAS Name: 6-ethoxy-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-ethoxy-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-ethoxy-2-[2-[3-(4-hydroxypiperidino)-5-isopropyl-4-methoxy-phenyl]-2-keto-ethyl]-3-imino-isoindoline-5-carboxylic acid Formula: C28H35N3O6 MolecularWeight: 509.594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)N4CCC(CC4)O)OC)C(C)C)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)N4CCC(CC4)O)OC)C(C)C)C(=O)O

InChI

InChI=1S/C28H35N3O6/c1-5-37-25-12-18-14-31(27(29)21(18)13-22(25)28(34)35)15-24(33)17-10-20(16(2)3)26(36-4)23(11-17)30-8-6-19(32)7-9-30/h10-13,16,19,29,32H,5-9,14-15H2,1-4H3,(H,34,35)