6-bromanyl-2-[[4-(3-methoxypropylcarbamoyl)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[[4-(3-methoxypropylcarbamoyl)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(3-methoxypropylcarbamoyl)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[(3-methoxypropylamino)-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(3-methoxypropylcarbamoyl)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-[4-(3-methoxypropylcarbamoyl)benzyl]-4-phenyl-isoquinoline-3-carboxylic acid Formula: C28H25BrN2O5 MolecularWeight: 549.4125

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COCCCNC(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H25BrN2O5/c1-36-15-5-14-30-26(32)20-10-8-18(9-11-20)17-31-25(28(34)35)24(19-6-3-2-4-7-19)23-16-21(29)12-13-22(23)27(31)33/h2-4,6-13,16H,5,14-15,17H2,1H3,(H,30,32)(H,34,35)