ethyl 4-[(3R)-3-(1-adamantylmethylamino)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[(3R)-3-(1-adamantylmethylamino)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[(3R)-3-(1-adamantylmethylamino)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3R)-3-(1-adamantylmethylamino)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-3-(1-adamantylmethylamino)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3R)-3-(1-adamantylmethylamino)-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N2O4/c1-2-30-23(29)18-3-5-19(6-4-18)26-21(27)10-20(22(26)28)25-14-24-11-15-7-16(12-24)9-17(8-15)13-24/h3-6,15-17,20,25H,2,7-14H2,1H3/t15?,16?,17?,20-,24?/m1/s1