4-[1-ethyl-1-(2-hydroxyethyl)-6-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-8-yl]benzoic acid

Systemtic Name: 4-[1-ethyl-1-(2-hydroxyethyl)-6-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-8-yl]benzoic acid Openeye Name: 4-[1-ethyl-1-(2-hydroxyethyl)-6-isopropyl-4,9-dihydro-3H-pyrano[3,4-b]indol-8-yl]benzoic acid CAS Name: 4-[1-ethyl-1-(2-hydroxyethyl)-6-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-8-yl]benzoic acid IUPAC Name: 4-[1-ethyl-1-(2-hydroxyethyl)-6-propan-2-yl-4,9-dihydro-3H-pyrano[3,4-b]indol-8-yl]benzoic acid Traditional Name: 4-[1-ethyl-1-(2-hydroxyethyl)-6-isopropyl-4,9-dihydro-3H-pyran[3,4-b]indol-8-yl]benzoic acid Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(CCO1)C3=CC(=CC(=C3N2)C4=CC=C(C=C4)C(=O)O)C(C)C)CCO

Isomeric SMILES

CCC1(C2=C(CCO1)C3=CC(=CC(=C3N2)C4=CC=C(C=C4)C(=O)O)C(C)C)CCO

InChI

InChI=1S/C25H29NO4/c1-4-25(10-11-27)23-19(9-12-30-25)21-14-18(15(2)3)13-20(22(21)26-23)16-5-7-17(8-6-16)24(28)29/h5-8,13-15,26-27H,4,9-12H2,1-3H3,(H,28,29)