2-[4-(2-butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(cyclopropylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2CC4CC4)C(=O)O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2CC4CC4)C(=O)O

InChI

InChI=1S/C27H33NO4/c1-2-3-14-31-15-16-32-24-12-10-21(11-13-24)26-18-23(27(29)30)17-22-6-4-5-7-25(22)28(26)19-20-8-9-20/h4-7,10-13,17,20,26H,2-3,8-9,14-16,18-19H2,1H3,(H,29,30)