phenethyl (4S,4aS,7S)-2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-4-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: phenethyl (4S,4aS,7S)-2-methyl-5-oxidanylidene-7-phenyl-4-pyridin-4-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4S,4aS,7S)-2-methyl-5-oxo-7-phenyl-4-(4-pyridyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS,7S)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S,4aS,7S)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS,7S)-5-keto-2-methyl-7-phenyl-4-(4-pyridyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C30H28N2O3 MolecularWeight: 464.55492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(CC(=O)C2C(C1C(=O)OCCC3=CC=CC=C3)C4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C[C@H](CC(=O)[C@H]2[C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28N2O3/c1-20-27(30(34)35-17-14-21-8-4-2-5-9-21)28(23-12-15-31-16-13-23)29-25(32-20)18-24(19-26(29)33)22-10-6-3-7-11-22/h2-13,15-16,18,24,27-29H,14,17,19H2,1H3/t24-,27?,28-,29+/m1/s1