1-[6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]indole-5-carbonitrile

Systemtic Name: 1-[6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromen-4-yl]indole-5-carbonitrile Openeye Name: 1-[6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]indole-5-carbonitrile CAS Name: 1-[6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-5-indolecarbonitrile IUPAC Name: 1-[6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromen-4-yl]indole-5-carbonitrile Traditional Name: 1-[6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-4-yl]indole-5-carbonitrile Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=CC4=C3C=CC(=C4)C#N)O)COC

Isomeric SMILES

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=CC4=C3C=CC(=C4)C#N)O)COC

InChI

InChI=1S/C23H21N3O4/c1-28-13-23(14-29-2)22(27)21(18-10-16(12-25)4-6-20(18)30-23)26-8-7-17-9-15(11-24)3-5-19(17)26/h3-10,21-22,27H,13-14H2,1-2H3