[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 3-bromanyl-1H-indole-2-carboxylate

Systemtic Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl] 3-bromanyl-1H-indole-2-carboxylate Openeye Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxo-ethyl] 3-bromo-1H-indole-2-carboxylate CAS Name: 3-bromo-1H-indole-2-carboxylic acid [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-bromo-1H-indole-2-carboxylate Traditional Name: 3-bromo-1H-indole-2-carboxylic acid [2-[cyclopropyl(p-anisyl)amino]-2-keto-ethyl] ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)COC(=O)C3=C(C4=CC=CC=C4N3)Br

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)COC(=O)C3=C(C4=CC=CC=C4N3)Br

InChI

InChI=1S/C22H21BrN2O4/c1-28-16-10-6-14(7-11-16)12-25(15-8-9-15)19(26)13-29-22(27)21-20(23)17-4-2-3-5-18(17)24-21/h2-7,10-11,15,24H,8-9,12-13H2,1H3