methyl 7-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 7-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C28H33NO4 MolecularWeight: 447.56592

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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)OC)CC#CC

Isomeric SMILES

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

InChI

InChI=1S/C28H33NO4/c1-4-6-15-29-16-14-24(28(30)31-3)21-25-20-23(10-13-27(25)29)22-8-11-26(12-9-22)33-19-18-32-17-7-5-2/h8-13,20-21H,5,7,14-19H2,1-3H3