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

Systemtic Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-propan-2-yl-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-isopropyl-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-propan-2-yl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-propan-2-yl-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-isopropyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C27H35NO4 MolecularWeight: 437.5711

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO4/c1-5-6-15-31-16-17-32-25-10-7-21(8-11-25)22-9-12-26-24(18-22)19-23(27(29)30-4)13-14-28(26)20(2)3/h7-12,18-20H,5-6,13-17H2,1-4H3