[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H31NO4 MolecularWeight: 385.49654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C23H31NO4/c1-4-5-24-15(2)6-19(16(24)3)20(25)13-28-21(26)12-22-8-17-7-18(9-22)11-23(27,10-17)14-22/h4,6,17-18,27H,1,5,7-14H2,2-3H3/t17-,18+,22?,23?