methyl 7-chloranyl-1-(methoxymethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-3-prop-2-enyl-4,5-dihydro-1-benzazepine-3-carboxylate

Systemtic Name: methyl 7-chloranyl-1-(methoxymethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-3-prop-2-enyl-4,5-dihydro-1-benzazepine-3-carboxylate Openeye Name: methyl 3-allyl-7-chloro-1-(methoxymethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-1-benzazepine-3-carboxylate CAS Name: 7-chloro-1-(methoxymethyl)-4-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-4,5-dihydro-1-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-1-(methoxymethyl)-4-(4-methoxyphenyl)-2-oxo-3-prop-2-enyl-4,5-dihydro-1-benzazepine-3-carboxylate Traditional Name: 3-allyl-7-chloro-2-keto-1-(methoxymethyl)-4-(4-methoxyphenyl)-4,5-dihydro-1-benzazepine-3-carboxylic acid methyl ester Formula: C24H26ClNO5 MolecularWeight: 443.91994

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C2=C(CC(C(C1=O)(CC=C)C(=O)OC)C3=CC=C(C=C3)OC)C=C(C=C2)Cl

Isomeric SMILES

COCN1C2=C(CC(C(C1=O)(CC=C)C(=O)OC)C3=CC=C(C=C3)OC)C=C(C=C2)Cl

InChI

InChI=1S/C24H26ClNO5/c1-5-12-24(23(28)31-4)20(16-6-9-19(30-3)10-7-16)14-17-13-18(25)8-11-21(17)26(15-29-2)22(24)27/h5-11,13,20H,1,12,14-15H2,2-4H3