2-morpholin-4-ylethyl 9-[(2-methoxy-5-nitro-phenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: 2-morpholin-4-ylethyl 9-[(2-methoxy-5-nitro-phenyl)methyl]pyrido[3,4-b]indole-3-carboxylate Openeye Name: 2-morpholinoethyl 9-[(2-methoxy-5-nitro-phenyl)methyl]pyrido[3,4-b]indole-3-carboxylate CAS Name: 9-[(2-methoxy-5-nitrophenyl)methyl]-3-pyrido[3,4-b]indolecarboxylic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 9-[(2-methoxy-5-nitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate Traditional Name: 9-(2-methoxy-5-nitro-benzyl)-$b-carboline-3-carboxylic acid 2-morpholinoethyl ester Formula: C26H26N4O6 MolecularWeight: 490.50784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2C3=CC=CC=C3C4=CC(=NC=C42)C(=O)OCCN5CCOCC5

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CN2C3=CC=CC=C3C4=CC(=NC=C42)C(=O)OCCN5CCOCC5

InChI

InChI=1S/C26H26N4O6/c1-34-25-7-6-19(30(32)33)14-18(25)17-29-23-5-3-2-4-20(23)21-15-22(27-16-24(21)29)26(31)36-13-10-28-8-11-35-12-9-28/h2-7,14-16H,8-13,17H2,1H3