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

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(phenylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 1-benzyl-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(phenylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-benzyl-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-benzyl-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C30H33NO4 MolecularWeight: 471.58732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C30H33NO4/c1-2-3-17-34-18-19-35-28-12-9-24(10-13-28)25-11-14-29-27(20-25)21-26(30(32)33)15-16-31(29)22-23-7-5-4-6-8-23/h4-14,20-21H,2-3,15-19,22H2,1H3,(H,32,33)