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

Systemtic Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclobutylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclobutylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclobutylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclobutylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclobutylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C29H37NO4 MolecularWeight: 463.60838

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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)CC4CCC4

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)CC4CCC4

InChI

InChI=1S/C29H37NO4/c1-3-4-16-33-17-18-34-27-11-8-23(9-12-27)24-10-13-28-26(19-24)20-25(29(31)32-2)14-15-30(28)21-22-6-5-7-22/h8-13,19-20,22H,3-7,14-18,21H2,1-2H3