2-[(3S)-4-(2-adamantyloxycarbonyl)-5-methyl-2-oxidanylidene-1,3-dihydropyrrol-3-yl]ethanoic acid

Systemtic Name: 2-[(3S)-4-(2-adamantyloxycarbonyl)-5-methyl-2-oxidanylidene-1,3-dihydropyrrol-3-yl]ethanoic acid Openeye Name: 2-[(3S)-4-(2-adamantyloxycarbonyl)-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl]acetic acid CAS Name: 2-[(3S)-4-[2-adamantyloxy(oxo)methyl]-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl]acetic acid IUPAC Name: 2-[(3S)-4-(2-adamantyloxycarbonyl)-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl]acetic acid Traditional Name: 2-[(3S)-4-(2-adamantyloxycarbonyl)-2-keto-5-methyl-2-pyrrolin-3-yl]acetic acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1)CC(=O)O)C(=O)OC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=C([C@@H](C(=O)N1)CC(=O)O)C(=O)OC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C18H23NO5/c1-8-15(13(7-14(20)21)17(22)19-8)18(23)24-16-11-3-9-2-10(5-11)6-12(16)4-9/h9-13,16H,2-7H2,1H3,(H,19,22)(H,20,21)/t9?,10?,11?,12?,13-,16?/m0/s1