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

Systemtic Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(3-thienylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(3-thiophenylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(3-thenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C28H31NO4S MolecularWeight: 477.61504

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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)O)CC4=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO4S/c1-3-4-14-32-20(2)33-26-8-5-22(6-9-26)23-7-10-27-25(16-23)17-24(28(30)31)11-13-29(27)18-21-12-15-34-19-21/h5-10,12,15-17,19-20H,3-4,11,13-14,18H2,1-2H3,(H,30,31)