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

Systemtic Name: 1-phenyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 1-phenyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 1-phenyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-phenyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-phenyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H29NO4/c1-2-16-32-17-18-33-26-11-8-21(9-12-26)22-10-13-27-24(19-22)20-23(28(30)31)14-15-29(27)25-6-4-3-5-7-25/h3-13,19-20H,2,14-18H2,1H3,(H,30,31)