tert-butyl 4-[3-[[3-[(2-methylphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[3-[(2-methylphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[3-(o-tolylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]propyl]piperidine-1-carboxylate CAS Name: 4-[3-[[3-[(2-methylphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[3-[(2-methylphenyl)methyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]propyl]piperidine-1-carboxylate Traditional Name: 4-[3-[[3-(2-methylbenzyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H44N2O3 MolecularWeight: 492.69266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCC3=C(CC2)C=C(C=C3)OCCCC4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCC3=C(CC2)C=C(C=C3)OCCCC4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H44N2O3/c1-24-8-5-6-10-28(24)23-32-17-15-26-11-12-29(22-27(26)16-18-32)35-21-7-9-25-13-19-33(20-14-25)30(34)36-31(2,3)4/h5-6,8,10-12,22,25H,7,9,13-21,23H2,1-4H3