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

Systemtic Name: 5-[1'-(1-cyclopropyl-5-methoxy-isoquinolin-7-yl)carbonyl-4-oxidanylidene-spiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid Openeye Name: 5-[1'-(1-cyclopropyl-5-methoxy-isoquinoline-7-carbonyl)-4-oxo-spiro[chromane-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid CAS Name: 5-[1'-[(1-cyclopropyl-5-methoxy-7-isoquinolinyl)-oxomethyl]-4-oxo-6-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]yl]-3-pyridinecarboxylic acid IUPAC Name: 5-[1'-(1-cyclopropyl-5-methoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid Traditional Name: 5-[1'-(1-cyclopropyl-5-methoxy-isoquinoline-7-carbonyl)-4-keto-spiro[chroman-2,4'-piperidine]-6-yl]nicotinic acid Formula: C33H29N3O6 MolecularWeight: 563.59986

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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(=CN=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(=CN=C6)C(=O)O)C7CC7

InChI

InChI=1S/C33H29N3O6/c1-41-29-15-21(14-25-24(29)6-9-35-30(25)19-2-3-19)31(38)36-10-7-33(8-11-36)16-27(37)26-13-20(4-5-28(26)42-33)22-12-23(32(39)40)18-34-17-22/h4-6,9,12-15,17-19H,2-3,7-8,10-11,16H2,1H3,(H,39,40)