ethyl (2S)-3-(5-methoxypyridin-2-yl)-2-[[(1R,4R,5R)-4,6,6-trimethyl-4-oxidanyl-3-bicyclo[3.1.1]heptanylidene]amino]propanoate

Systemtic Name: ethyl (2S)-3-(5-methoxypyridin-2-yl)-2-[[(1R,4R,5R)-4,6,6-trimethyl-4-oxidanyl-3-bicyclo[3.1.1]heptanylidene]amino]propanoate Openeye Name: ethyl (2S)-2-[[(1R,2R,5R)-2-hydroxy-2,6,6-trimethyl-norpinan-3-ylidene]amino]-3-(5-methoxy-2-pyridyl)propanoate CAS Name: (2S)-2-[[(1R,4R,5R)-4-hydroxy-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-(5-methoxy-2-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(1R,4R,5R)-4-hydroxy-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]amino]-3-(5-methoxypyridin-2-yl)propanoate Traditional Name: (2S)-2-[[(1R,2R,5R)-2-hydroxy-2,6,6-trimethyl-norpinan-3-ylidene]amino]-3-(5-methoxy-2-pyridyl)propionic acid ethyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=NC=C(C=C1)OC)N=C2CC3CC(C3(C)C)C2(C)O

Isomeric SMILES

CCOC(=O)[C@H](CC1=NC=C(C=C1)OC)N=C2C[C@H]3C[C@@H]([C@@]2(C)O)C3(C)C

InChI

InChI=1S/C21H30N2O4/c1-6-27-19(24)16(11-14-7-8-15(26-5)12-22-14)23-18-10-13-9-17(20(13,2)3)21(18,4)25/h7-8,12-13,16-17,25H,6,9-11H2,1-5H3/t13-,16+,17-,21-/m1/s1