tert-butyl 8-[(4-ethoxycarbonyl-1-pyridin-4-yl-piperidin-4-yl)methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate

Systemtic Name: tert-butyl 8-[(4-ethoxycarbonyl-1-pyridin-4-yl-piperidin-4-yl)methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate Openeye Name: tert-butyl 8-[[4-ethoxycarbonyl-1-(4-pyridyl)-4-piperidyl]methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate CAS Name: 8-[(4-ethoxycarbonyl-1-pyridin-4-yl-4-piperidinyl)methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-[(4-ethoxycarbonyl-1-pyridin-4-ylpiperidin-4-yl)methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate Traditional Name: 8-[[4-carbethoxy-1-(4-pyridyl)-4-piperidyl]methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid tert-butyl ester Formula: C29H39N3O5 MolecularWeight: 509.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)COC3=CC4=C(CCCN(C4)C(=O)OC(C)(C)C)C=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)COC3=CC4=C(CCCN(C4)C(=O)OC(C)(C)C)C=C3

InChI

InChI=1S/C29H39N3O5/c1-5-35-26(33)29(12-17-31(18-13-29)24-10-14-30-15-11-24)21-36-25-9-8-22-7-6-16-32(20-23(22)19-25)27(34)37-28(2,3)4/h8-11,14-15,19H,5-7,12-13,16-18,20-21H2,1-4H3