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

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

Click to see the large picture

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=CC=CS4

Isomeric SMILES

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

InChI

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