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

Systemtic Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-(2-thienylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(2-thenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C29H33NO4S MolecularWeight: 491.64162

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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=CS4

Isomeric SMILES

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)CC4=CC=CS4

InChI

InChI=1S/C29H33NO4S/c1-4-5-16-33-21(2)34-26-11-8-22(9-12-26)23-10-13-28-25(18-23)19-24(29(31)32-3)14-15-30(28)20-27-7-6-17-35-27/h6-13,17-19,21H,4-5,14-16,20H2,1-3H3