(4S)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-3-piperidin-1-ylcarbonyl-4a,6,7,8-tetrahydro-4H-quinolin-5-one

Systemtic Name: (4S)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-3-piperidin-1-ylcarbonyl-4a,6,7,8-tetrahydro-4H-quinolin-5-one Openeye Name: (4S)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-3-(piperidine-1-carbonyl)-4a,6,7,8-tetrahydro-4H-quinolin-5-one CAS Name: (4S)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-3-[oxo(1-piperidinyl)methyl]-4a,6,7,8-tetrahydro-4H-quinolin-5-one IUPAC Name: (4S)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4a,6,7,8-tetrahydro-4H-quinolin-5-one Traditional Name: (4S)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-3-(piperidine-1-carbonyl)-4a,6,7,8-tetrahydro-4H-quinolin-5-one Formula: C24H29BrN2O4 MolecularWeight: 489.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3C(=NC(=C2C(=O)N4CCCCC4)C)CCCC3=O)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2C3C(=NC(=C2C(=O)N4CCCCC4)C)CCCC3=O)Br)O

InChI

InChI=1S/C24H29BrN2O4/c1-3-31-19-13-15(12-16(25)23(19)29)21-20(24(30)27-10-5-4-6-11-27)14(2)26-17-8-7-9-18(28)22(17)21/h12-13,21-22,29H,3-11H2,1-2H3/t21-,22?/m0/s1