8-[(4-ethoxycarbonyl-1-pyridin-4-yl-piperidin-4-yl)methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid

Systemtic Name: 8-[(4-ethoxycarbonyl-1-pyridin-4-yl-piperidin-4-yl)methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid Openeye Name: 8-[[4-ethoxycarbonyl-1-(4-pyridyl)-4-piperidyl]methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid CAS Name: 8-[(4-ethoxycarbonyl-1-pyridin-4-yl-4-piperidinyl)methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid IUPAC Name: 8-[(4-ethoxycarbonyl-1-pyridin-4-ylpiperidin-4-yl)methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid Traditional Name: 8-[[4-carbethoxy-1-(4-pyridyl)-4-piperidyl]methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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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)O)C=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5/c1-2-32-23(29)25(9-14-27(15-10-25)21-7-11-26-12-8-21)18-33-22-6-5-19-4-3-13-28(24(30)31)17-20(19)16-22/h5-8,11-12,16H,2-4,9-10,13-15,17-18H2,1H3,(H,30,31)