8-methoxy-3a,4,4-trimethyl-2,3,9,9a-tetrahydro-1H-benzo[f]indole; 2-oxidanylbutanedioic acid

Systemtic Name: 8-methoxy-3a,4,4-trimethyl-2,3,9,9a-tetrahydro-1H-benzo[f]indole; 2-oxidanylbutanedioic acid Openeye Name: 2-hydroxybutanedioic acid; 8-methoxy-3a,4,4-trimethyl-2,3,9,9a-tetrahydro-1H-benzo[f]indole CAS Name: 2-hydroxybutanedioic acid; 8-methoxy-3a,4,4-trimethyl-2,3,9,9a-tetrahydro-1H-benzo[f]indole IUPAC Name: 2-hydroxybutanedioic acid; 8-methoxy-3a,4,4-trimethyl-2,3,9,9a-tetrahydro-1H-benzo[f]indole Traditional Name: malic acid; 8-methoxy-3a,4,4-trimethyl-2,3,9,9a-tetrahydro-1H-benz[f]indole Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(CC3C1(CCN3)C)C(=CC=C2)OC)C.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CC1(C2=C(CC3C1(CCN3)C)C(=CC=C2)OC)C.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C16H23NO.C4H6O5/c1-15(2)12-6-5-7-13(18-4)11(12)10-14-16(15,3)8-9-17-14;5-2(4(8)9)1-3(6)7/h5-7,14,17H,8-10H2,1-4H3;2,5H,1H2,(H,6,7)(H,8,9)