5-chloranyl-2-oxidanylidene-3-piperazin-1-ylcarbonyloxy-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-yl-indole-1-carboxylic acid

Systemtic Name: 5-chloranyl-2-oxidanylidene-3-piperazin-1-ylcarbonyloxy-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-yl-indole-1-carboxylic acid Openeye Name: 5-chloro-3-(2-isopropoxyphenyl)-2-oxo-3-(piperazine-1-carbonyloxy)-4-(4-pyridyl)indoline-1-carboxylic acid CAS Name: 5-chloro-2-oxo-3-[oxo(1-piperazinyl)methoxy]-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-yl-1-indolecarboxylic acid IUPAC Name: 5-chloro-2-oxo-3-(piperazine-1-carbonyloxy)-3-(2-propan-2-yloxyphenyl)-4-pyridin-4-ylindole-1-carboxylic acid Traditional Name: 5-chloro-3-(2-isopropoxyphenyl)-2-keto-3-(piperazine-1-carbonyloxy)-4-(4-pyridyl)indoline-1-carboxylic acid Formula: C28H27ClN4O6 MolecularWeight: 550.99018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2(C3=C(C=CC(=C3C4=CC=NC=C4)Cl)N(C2=O)C(=O)O)OC(=O)N5CCNCC5

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2(C3=C(C=CC(=C3C4=CC=NC=C4)Cl)N(C2=O)C(=O)O)OC(=O)N5CCNCC5

InChI

InChI=1S/C28H27ClN4O6/c1-17(2)38-22-6-4-3-5-19(22)28(39-27(37)32-15-13-31-14-16-32)24-21(33(25(28)34)26(35)36)8-7-20(29)23(24)18-9-11-30-12-10-18/h3-12,17,31H,13-16H2,1-2H3,(H,35,36)