(E)-3-(6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-9-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-9-yl)prop-2-enoic acid Openeye Name: (E)-3-(6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-9-yl)prop-2-enoic acid CAS Name: (E)-3-(6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-9-yl)-2-propenoic acid IUPAC Name: (E)-3-(6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-9-yl)prop-2-enoic acid Traditional Name: (E)-3-(6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-9-yl)acrylic acid Formula: C14H16ClNO2 MolecularWeight: 265.73534

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C=CC(=C2CC1)Cl)C=CC(=O)O

Isomeric SMILES

CN1CCC2=C(C=CC(=C2CC1)Cl)/C=C/C(=O)O

InChI

InChI=1S/C14H16ClNO2/c1-16-8-6-11-10(3-5-14(17)18)2-4-13(15)12(11)7-9-16/h2-5H,6-9H2,1H3,(H,17,18)/b5-3+