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

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

Isomeric SMILES

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

InChI

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