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

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-2-methyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-2-methyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-2-methyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-2-methyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-m-anisyl-2-methyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C32H37NO5 MolecularWeight: 515.63988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H37NO5/c1-4-5-15-37-16-17-38-29-12-9-25(10-13-29)26-11-14-31-27(20-26)21-28(32(34)35)18-23(2)33(31)22-24-7-6-8-30(19-24)36-3/h6-14,19-21,23H,4-5,15-18,22H2,1-3H3,(H,34,35)