methyl 5-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-1-(phenylmethyl)-2,7a-dihydroindol-1-ium-1-carboxylate

Systemtic Name: methyl 5-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-1-(phenylmethyl)-2,7a-dihydroindol-1-ium-1-carboxylate Openeye Name: methyl 1-benzyl-5-[(2-butyl-6-methyl-4-oxo-quinazolin-3-yl)methyl]-2,7a-dihydroindol-1-ium-1-carboxylate CAS Name: 5-[(2-butyl-6-methyl-4-oxo-3-quinazolinyl)methyl]-1-(phenylmethyl)-2,7a-dihydroindol-1-ium-1-carboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-5-[(2-butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]-2,7a-dihydroindol-1-ium-1-carboxylate Traditional Name: 1-benzyl-5-[(2-butyl-4-keto-6-methyl-quinazolin-3-yl)methyl]-2,7a-dihydroindol-1-ium-1-carboxylic acid methyl ester Formula: C31H34N3O3+ MolecularWeight: 496.61996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC4=CC[N+](C4C=C3)(CC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC4=CC[N+](C4C=C3)(CC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C31H34N3O3/c1-4-5-11-29-32-27-14-12-22(2)18-26(27)30(35)33(29)20-24-13-15-28-25(19-24)16-17-34(28,31(36)37-3)21-23-9-7-6-8-10-23/h6-10,12-16,18-19,28H,4-5,11,17,20-21H2,1-3H3/q+1