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

Systemtic Name: 1-[(4-ethoxycarbonyl-1-pyridin-4-yl-piperidin-4-yl)methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid Openeye Name: 1-[[4-ethoxycarbonyl-1-(4-pyridyl)-4-piperidyl]methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid CAS Name: 1-[(4-ethoxycarbonyl-1-pyridin-4-yl-4-piperidinyl)methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid IUPAC Name: 1-[(4-ethoxycarbonyl-1-pyridin-4-ylpiperidin-4-yl)methoxy]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid Traditional Name: 1-[[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)COC3C4=CC=CC=C4CCCN3C(=O)O

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)COC3C4=CC=CC=C4CCCN3C(=O)O

InChI

InChI=1S/C25H31N3O5/c1-2-32-23(29)25(11-16-27(17-12-25)20-9-13-26-14-10-20)18-33-22-21-8-4-3-6-19(21)7-5-15-28(22)24(30)31/h3-4,6,8-10,13-14,22H,2,5,7,11-12,15-18H2,1H3,(H,30,31)