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

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-1-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-1-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C29H31NO4 MolecularWeight: 457.56074

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO4/c1-2-3-17-33-18-19-34-27-12-9-22(10-13-27)23-11-14-28-25(20-23)21-24(29(31)32)15-16-30(28)26-7-5-4-6-8-26/h4-14,20-21H,2-3,15-19H2,1H3,(H,31,32)