3-[1'-(1-cyclopropyl-5-methoxy-isoquinolin-7-yl)carbonyl-4-oxidanylidene-spiro[3H-chromene-2,4'-piperidine]-6-yl]benzoic acid

Systemtic Name: 3-[1'-(1-cyclopropyl-5-methoxy-isoquinolin-7-yl)carbonyl-4-oxidanylidene-spiro[3H-chromene-2,4'-piperidine]-6-yl]benzoic acid Openeye Name: 3-[1'-(1-cyclopropyl-5-methoxy-isoquinoline-7-carbonyl)-4-oxo-spiro[chromane-2,4'-piperidine]-6-yl]benzoic acid CAS Name: 3-[1'-[(1-cyclopropyl-5-methoxy-7-isoquinolinyl)-oxomethyl]-4-oxo-6-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]yl]benzoic acid IUPAC Name: 3-[1'-(1-cyclopropyl-5-methoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]benzoic acid Traditional Name: 3-[1'-(1-cyclopropyl-5-methoxy-isoquinoline-7-carbonyl)-4-keto-spiro[chroman-2,4'-piperidine]-6-yl]benzoic acid Formula: C34H30N2O6 MolecularWeight: 562.6118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=CN=C(C2=CC(=C1)C(=O)N3CCC4(CC3)CC(=O)C5=C(O4)C=CC(=C5)C6=CC(=CC=C6)C(=O)O)C7CC7

Isomeric SMILES

COC1=C2C=CN=C(C2=CC(=C1)C(=O)N3CCC4(CC3)CC(=O)C5=C(O4)C=CC(=C5)C6=CC(=CC=C6)C(=O)O)C7CC7

InChI

InChI=1S/C34H30N2O6/c1-41-30-18-24(17-26-25(30)9-12-35-31(26)20-5-6-20)32(38)36-13-10-34(11-14-36)19-28(37)27-16-22(7-8-29(27)42-34)21-3-2-4-23(15-21)33(39)40/h2-4,7-9,12,15-18,20H,5-6,10-11,13-14,19H2,1H3,(H,39,40)