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

Systemtic Name: 4-[7-chloranyl-8-propan-2-yloxy-1-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid Openeye Name: 4-[7-chloro-8-isopropoxy-1-(3-pyridylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid CAS Name: 4-[7-chloro-8-propan-2-yloxy-1-(3-pyridinylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid IUPAC Name: 4-[7-chloro-8-propan-2-yloxy-1-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g]indol-3-yl]benzoic acid Traditional Name: 4-[7-chloro-8-isopropoxy-1-(3-pyridylmethyl)-4,5-dihydrobenz[g]indol-3-yl]benzoic acid Formula: C28H25ClN2O3 MolecularWeight: 472.9627

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C2CCC3=C(C2=C1)N(C=C3C4=CC=C(C=C4)C(=O)O)CC5=CN=CC=C5)Cl

Isomeric SMILES

CC(C)OC1=C(C=C2CCC3=C(C2=C1)N(C=C3C4=CC=C(C=C4)C(=O)O)CC5=CN=CC=C5)Cl

InChI

InChI=1S/C28H25ClN2O3/c1-17(2)34-26-13-23-21(12-25(26)29)9-10-22-24(19-5-7-20(8-6-19)28(32)33)16-31(27(22)23)15-18-4-3-11-30-14-18/h3-8,11-14,16-17H,9-10,15H2,1-2H3,(H,32,33)