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

Systemtic Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(2-chloranylethanoyl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(2-chloroacetyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-chloro-1-oxoethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(2-chloroacetyl)-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-chloroacetyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C26H30ClNO5 MolecularWeight: 471.9731

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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)C(=O)CCl

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClNO5/c1-3-4-13-32-14-15-33-23-8-5-19(6-9-23)20-7-10-24-22(16-20)17-21(26(30)31-2)11-12-28(24)25(29)18-27/h5-10,16-17H,3-4,11-15,18H2,1-2H3