[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-keto-2-[[(1S)-1-methylhexyl]amino]ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=C2

Isomeric SMILES

CCCCC[C@H](C)NC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=C2

InChI

InChI=1S/C20H26N2O3/c1-3-4-5-8-16(2)21-19(23)15-25-20(24)17-9-11-18(12-10-17)22-13-6-7-14-22/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H,21,23)/t16-/m0/s1