methyl 2-[1-[3-[(4-cyanophenyl)carbonyl-prop-2-ynyl-amino]-2,2-dimethyl-heptanoyl]piperidin-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[3-[(4-cyanophenyl)carbonyl-prop-2-ynyl-amino]-2,2-dimethyl-heptanoyl]piperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[3-[(4-cyanobenzoyl)-prop-2-ynyl-amino]-2,2-dimethyl-heptanoyl]-4-piperidyl]acetate CAS Name: 2-[1-[3-[[(4-cyanophenyl)-oxomethyl]-prop-2-ynylamino]-2,2-dimethyl-1-oxoheptyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[3-[(4-cyanobenzoyl)-prop-2-ynylamino]-2,2-dimethylheptanoyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[3-[(4-cyanobenzoyl)-propargyl-amino]-2,2-dimethyl-heptanoyl]-4-piperidyl]acetic acid methyl ester Formula: C28H37N3O4 MolecularWeight: 479.61108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)(C)C(=O)N1CCC(CC1)CC(=O)OC)N(CC#C)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCC(C(C)(C)C(=O)N1CCC(CC1)CC(=O)OC)N(CC#C)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C28H37N3O4/c1-6-8-9-24(31(16-7-2)26(33)23-12-10-22(20-29)11-13-23)28(3,4)27(34)30-17-14-21(15-18-30)19-25(32)35-5/h2,10-13,21,24H,6,8-9,14-19H2,1,3-5H3