[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC(=O)C2=CC=CN2C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC(=O)C2=CC=CN2C

InChI

InChI=1S/C21H25N3O6/c1-3-4-12-29-16-9-7-15(8-10-16)20(27)22-13-19(26)30-14-18(25)23-21(28)17-6-5-11-24(17)2/h5-11H,3-4,12-14H2,1-2H3,(H,22,27)(H,23,25,28)