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

Systemtic Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(cyclohexylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(cyclohexylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(cyclohexylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(cyclohexylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(cyclohexylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C30H39NO4 MolecularWeight: 477.63496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2CC4CCCCC4)C(=O)O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2CC4CCCCC4)C(=O)O

InChI

InChI=1S/C30H39NO4/c1-2-3-17-34-18-19-35-27-15-13-24(14-16-27)29-21-26(30(32)33)20-25-11-7-8-12-28(25)31(29)22-23-9-5-4-6-10-23/h7-8,11-16,20,23,29H,2-6,9-10,17-19,21-22H2,1H3,(H,32,33)