(3R,4S)-2,2-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl-phenyl-amino]-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3R,4S)-2,2-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl-phenyl-amino]-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-[N-[(3-methylisoxazol-5-yl)methyl]anilino]chromane-6-carbonitrile CAS Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-[N-[(3-methyl-5-isoxazolyl)methyl]anilino]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-[N-[(3-methylisoxazol-5-yl)methyl]anilino]chroman-6-carbonitrile Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN(C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)C4=CC=CC=C4

Isomeric SMILES

CC1=NOC(=C1)CN([C@@H]2[C@H](C(OC3=C2C=C(C=C3)C#N)(C)C)O)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3/c1-15-11-18(29-25-15)14-26(17-7-5-4-6-8-17)21-19-12-16(13-24)9-10-20(19)28-23(2,3)22(21)27/h4-12,21-22,27H,14H2,1-3H3/t21-,22+/m0/s1