(8-chloranyl-3-methyl-5-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) 2-methylpropanoate

Systemtic Name: (8-chloranyl-3-methyl-5-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) 2-methylpropanoate Openeye Name: (5-allyl-8-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) 2-methylpropanoate CAS Name: 2-methylpropanoic acid (8-chloro-3-methyl-5-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester IUPAC Name: (8-chloro-3-methyl-5-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) 2-methylpropanoate Traditional Name: 2-methylpropionic acid (5-allyl-8-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester Formula: C18H24ClNO2 MolecularWeight: 321.84166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=C(C=C2CCN(CC(C2=C1)CC=C)C)Cl

Isomeric SMILES

CC(C)C(=O)OC1=C(C=C2CCN(CC(C2=C1)CC=C)C)Cl

InChI

InChI=1S/C18H24ClNO2/c1-5-6-14-11-20(4)8-7-13-9-16(19)17(10-15(13)14)22-18(21)12(2)3/h5,9-10,12,14H,1,6-8,11H2,2-4H3