ethyl 4-[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate CAS Name: 4-[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[7-(1H-inden-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylic acid ethyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3)C4=CC5=CC=CC=C5C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3)C4=CC5=CC=CC=C5C4

InChI

InChI=1S/C26H30N2O3/c1-2-30-26(29)27-11-9-24(10-12-27)28-13-14-31-25-8-7-21(17-23(25)18-28)22-15-19-5-3-4-6-20(19)16-22/h3-8,15,17,24H,2,9-14,16,18H2,1H3