6-bromanyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(1-tert-butoxycarbonyl-4-piperidyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[(1-tert-butoxycarbonyl-4-piperidyl)methyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C27H29BrN2O5 MolecularWeight: 541.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H29BrN2O5/c1-27(2,3)35-26(34)29-13-11-17(12-14-29)16-30-23(25(32)33)22(18-7-5-4-6-8-18)21-15-19(28)9-10-20(21)24(30)31/h4-10,15,17H,11-14,16H2,1-3H3,(H,32,33)