(11-aminocarbonyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoate

Systemtic Name: (11-aminocarbonyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoate Openeye Name: (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]acetate CAS Name: 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) ester IUPAC Name: (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate Traditional Name: 2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]acetic acid (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(=O)OC2CC3=CC=CC=C3N(C4=CC=CC=C24)C(=O)N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OCC(=O)OC2CC3=CC=CC=C3N(C4=CC=CC=C24)C(=O)N)C(C)C

InChI

InChI=1S/C27H34N2O4/c1-17(2)20-13-12-18(3)14-24(20)32-16-26(30)33-25-15-19-8-4-6-10-22(19)29(27(28)31)23-11-7-5-9-21(23)25/h4-11,17-18,20,24-25H,12-16H2,1-3H3,(H2,28,31)/t18-,20+,24-,25?/m1/s1