methyl 1-prop-2-enyl-7-[4-(1-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate

Systemtic Name: methyl 1-prop-2-enyl-7-[4-(1-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Openeye Name: methyl 1-allyl-7-[4-(1-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate CAS Name: 1-prop-2-enyl-7-[4-(1-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 1-prop-2-enyl-7-[4-(1-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylate Traditional Name: 1-allyl-7-[4-(1-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid methyl ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)CC=C

Isomeric SMILES

CCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)OC)CC=C

InChI

InChI=1S/C26H31NO4/c1-5-14-27-15-13-22(26(28)29-4)18-23-17-21(9-12-25(23)27)20-7-10-24(11-8-20)31-19(3)30-16-6-2/h5,7-12,17-19H,1,6,13-16H2,2-4H3