cyclohexyl 2-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: cyclohexyl 2-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: cyclohexyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-homoveratryl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid cyclohexyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OC5CCCCC5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OC5CCCCC5)N)OC

InChI

InChI=1S/C27H30N4O4/c1-33-21-13-12-17(16-22(21)34-2)14-15-31-25(28)23(27(32)35-18-8-4-3-5-9-18)24-26(31)30-20-11-7-6-10-19(20)29-24/h6-7,10-13,16,18H,3-5,8-9,14-15,28H2,1-2H3