[(3S)-1-(3-ethynylphenyl)carbonylpiperidin-3-yl]-(4-methoxy-2-methyl-phenyl)methanone

Systemtic Name: [(3S)-1-(3-ethynylphenyl)carbonylpiperidin-3-yl]-(4-methoxy-2-methyl-phenyl)methanone Openeye Name: [(3S)-1-(3-ethynylbenzoyl)-3-piperidyl]-(4-methoxy-2-methyl-phenyl)methanone CAS Name: [(3S)-1-[(3-ethynylphenyl)-oxomethyl]-3-piperidinyl]-(4-methoxy-2-methylphenyl)methanone IUPAC Name: [(3S)-1-(3-ethynylbenzoyl)piperidin-3-yl]-(4-methoxy-2-methylphenyl)methanone Traditional Name: [(3S)-1-(3-ethynylbenzoyl)-3-piperidyl]-(4-methoxy-2-methyl-phenyl)methanone Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)C(=O)C3=CC=CC(=C3)C#C

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(=O)[C@H]2CCCN(C2)C(=O)C3=CC=CC(=C3)C#C

InChI

InChI=1S/C23H23NO3/c1-4-17-7-5-8-18(14-17)23(26)24-12-6-9-19(15-24)22(25)21-11-10-20(27-3)13-16(21)2/h1,5,7-8,10-11,13-14,19H,6,9,12,15H2,2-3H3/t19-/m0/s1