4-[7-methyl-8-propan-2-yloxy-1-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid

Systemtic Name: 4-[7-methyl-8-propan-2-yloxy-1-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid Openeye Name: 4-[8-isopropoxy-7-methyl-1-(3-pyridylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid CAS Name: 4-[7-methyl-8-propan-2-yloxy-1-(3-pyridinylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid IUPAC Name: 4-[7-methyl-8-propan-2-yloxy-1-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid Traditional Name: 4-[8-isopropoxy-7-methyl-1-(3-pyridylmethyl)-4,5-dihydrobenz[g]indol-3-yl]benzoic acid Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CCC3=C2N(C=C3C4=CC=C(C=C4)C(=O)O)CC5=CN=CC=C5)OC(C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CCC3=C2N(C=C3C4=CC=C(C=C4)C(=O)O)CC5=CN=CC=C5)OC(C)C

InChI

InChI=1S/C29H28N2O3/c1-18(2)34-27-14-25-23(13-19(27)3)10-11-24-26(21-6-8-22(9-7-21)29(32)33)17-31(28(24)25)16-20-5-4-12-30-15-20/h4-9,12-15,17-18H,10-11,16H2,1-3H3,(H,32,33)