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

Systemtic Name: methyl 1-[(E)-but-2-enoyl]-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 1-[(E)-but-2-enoyl]-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-[(E)-1-oxobut-2-enyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-but-2-enoyl]-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-[(E)-but-2-enoyl]-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C28H33NO5 MolecularWeight: 463.56532

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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)C(=O)C=CC

Isomeric SMILES

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

InChI

InChI=1S/C28H33NO5/c1-4-6-16-33-17-18-34-25-11-8-21(9-12-25)22-10-13-26-24(19-22)20-23(28(31)32-3)14-15-29(26)27(30)7-5-2/h5,7-13,19-20H,4,6,14-18H2,1-3H3/b7-5+