7-[4-(1-butoxyethoxy)phenyl]-1-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(2-pyridylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(2-pyridinylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(2-pyridylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CC=CC=N4

Isomeric SMILES

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CC=CC=N4

InChI

InChI=1S/C29H32N2O4/c1-3-4-17-34-21(2)35-27-11-8-22(9-12-27)23-10-13-28-25(18-23)19-24(29(32)33)14-16-31(28)20-26-7-5-6-15-30-26/h5-13,15,18-19,21H,3-4,14,16-17,20H2,1-2H3,(H,32,33)