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

Systemtic Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-(3-thienylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(3-thiophenylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(1-butoxyethoxy)phenyl]-1-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(3-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=CSC=C4

Isomeric SMILES

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)CC4=CSC=C4

InChI

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