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

Systemtic Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-(2-pyridylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(2-pyridinylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-(pyridin-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(2-pyridylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C30H34N2O4 MolecularWeight: 486.60196

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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)OC)CC4=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O4/c1-4-5-18-35-22(2)36-28-12-9-23(10-13-28)24-11-14-29-26(19-24)20-25(30(33)34-3)15-17-32(29)21-27-8-6-7-16-31-27/h6-14,16,19-20,22H,4-5,15,17-18,21H2,1-3H3