(1-prop-2-ynylcyclohexyl) 3-(2-phenoxyethylamino)butanoate

Systemtic Name: (1-prop-2-ynylcyclohexyl) 3-(2-phenoxyethylamino)butanoate Openeye Name: (1-prop-2-ynylcyclohexyl) 3-(2-phenoxyethylamino)butanoate CAS Name: 3-(2-phenoxyethylamino)butanoic acid (1-prop-2-ynylcyclohexyl) ester IUPAC Name: (1-prop-2-ynylcyclohexyl) 3-(2-phenoxyethylamino)butanoate Traditional Name: 3-(2-phenoxyethylamino)butyric acid (1-propargylcyclohexyl) ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1(CCCCC1)CC#C)NCCOC2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OC1(CCCCC1)CC#C)NCCOC2=CC=CC=C2

InChI

InChI=1S/C21H29NO3/c1-3-12-21(13-8-5-9-14-21)25-20(23)17-18(2)22-15-16-24-19-10-6-4-7-11-19/h1,4,6-7,10-11,18,22H,5,8-9,12-17H2,2H3