2-[7-chloranyl-1-(4-cyclohexylphenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-1-(4-cyclohexylphenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoic acid Openeye Name: 2-[7-chloro-1-(4-cyclohexylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid CAS Name: 2-[7-chloro-1-[(4-cyclohexylphenyl)-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid IUPAC Name: 2-[7-chloro-1-(4-cyclohexylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid Traditional Name: 2-[7-chloro-1-(4-cyclohexylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid Formula: C25H28ClNO3 MolecularWeight: 425.94772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)CC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)CC(=O)O

InChI

InChI=1S/C25H28ClNO3/c26-21-12-13-23-22(16-21)20(15-24(28)29)7-4-14-27(23)25(30)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h8-13,16-17,20H,1-7,14-15H2,(H,28,29)