7-[4-(1-butoxyethoxy)phenyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-methylthiazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-methyl-4-thiazolyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-methylthiazol-4-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C28H32N2O4S MolecularWeight: 492.62968

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=CSC(=N4)C

Isomeric SMILES

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CSC(=N4)C

InChI

InChI=1S/C28H32N2O4S/c1-4-5-14-33-20(3)34-26-9-6-21(7-10-26)22-8-11-27-24(15-22)16-23(28(31)32)12-13-30(27)17-25-18-35-19(2)29-25/h6-11,15-16,18,20H,4-5,12-14,17H2,1-3H3,(H,31,32)