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

Systemtic Name: 2-[4-(2-propoxyethoxy)phenyl]-1-propyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 2-[4-(2-propoxyethoxy)phenyl]-1-propyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 2-[4-(2-propoxyethoxy)phenyl]-1-propyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 2-[4-(2-propoxyethoxy)phenyl]-1-propyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 2-[4-(2-propoxyethoxy)phenyl]-1-propyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(CC(=CC2=CC=CC=C21)C(=O)O)C3=CC=C(C=C3)OCCOCCC

Isomeric SMILES

CCCN1C(CC(=CC2=CC=CC=C21)C(=O)O)C3=CC=C(C=C3)OCCOCCC

InChI

InChI=1S/C25H31NO4/c1-3-13-26-23-8-6-5-7-20(23)17-21(25(27)28)18-24(26)19-9-11-22(12-10-19)30-16-15-29-14-4-2/h5-12,17,24H,3-4,13-16,18H2,1-2H3,(H,27,28)