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

Systemtic Name: 7-[4-(1-propoxyethoxy)phenyl]-1-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(1-propoxyethoxy)phenyl]-1-(2-thienylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(1-propoxyethoxy)phenyl]-1-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(1-propoxyethoxy)phenyl]-1-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(1-propoxyethoxy)phenyl]-1-(2-thenyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO4S/c1-3-14-31-19(2)32-24-9-6-20(7-10-24)21-8-11-26-23(16-21)17-22(27(29)30)12-13-28(26)18-25-5-4-15-33-25/h4-11,15-17,19H,3,12-14,18H2,1-2H3,(H,29,30)