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

Systemtic Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)CC4CC4

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)CC4CC4

InChI

InChI=1S/C28H35NO4/c1-3-4-15-32-16-17-33-26-10-7-22(8-11-26)23-9-12-27-25(18-23)19-24(28(30)31-2)13-14-29(27)20-21-5-6-21/h7-12,18-19,21H,3-6,13-17,20H2,1-2H3