ethyl (3R,4S)-2-ethyl-5-oxidanylidene-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: ethyl (3R,4S)-2-ethyl-5-oxidanylidene-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (3R,4S)-2-ethyl-5-oxo-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (3R,4S)-2-ethyl-5-oxo-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-2-ethyl-5-oxo-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (3R,4S)-2-ethyl-5-keto-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C(C(=NC3=C2C(=O)CCC3)CC)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC=C1[C@@H]2[C@H](C(=NC3=C2C(=O)CCC3)CC)C(=O)OCC

InChI

InChI=1S/C23H29NO4/c1-4-14-28-19-13-8-7-10-15(19)20-21-17(11-9-12-18(21)25)24-16(5-2)22(20)23(26)27-6-3/h7-8,10,13,20,22H,4-6,9,11-12,14H2,1-3H3/t20-,22-/m0/s1