methyl (7R,8R,8aR)-8-(phenylcarbamoyl)-1-propan-2-yl-3,4,6,7,8,8a-hexahydro-2H-quinoline-7-carboxylate

Systemtic Name: methyl (7R,8R,8aR)-8-(phenylcarbamoyl)-1-propan-2-yl-3,4,6,7,8,8a-hexahydro-2H-quinoline-7-carboxylate Openeye Name: methyl (7R,8R,8aR)-1-isopropyl-8-(phenylcarbamoyl)-3,4,6,7,8,8a-hexahydro-2H-quinoline-7-carboxylate CAS Name: (7R,8R,8aR)-8-[anilino(oxo)methyl]-1-propan-2-yl-3,4,6,7,8,8a-hexahydro-2H-quinoline-7-carboxylic acid methyl ester IUPAC Name: methyl (7R,8R,8aR)-8-(phenylcarbamoyl)-1-propan-2-yl-3,4,6,7,8,8a-hexahydro-2H-quinoline-7-carboxylate Traditional Name: (7R,8R,8aR)-1-isopropyl-8-(phenylcarbamoyl)-3,4,6,7,8,8a-hexahydro-2H-quinoline-7-carboxylic acid methyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCC2=CCC(C(C21)C(=O)NC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)N1CCCC2=CC[C@H]([C@H]([C@H]21)C(=O)NC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H28N2O3/c1-14(2)23-13-7-8-15-11-12-17(21(25)26-3)18(19(15)23)20(24)22-16-9-5-4-6-10-16/h4-6,9-11,14,17-19H,7-8,12-13H2,1-3H3,(H,22,24)/t17-,18-,19+/m1/s1