[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

C[C@H](C1CC1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C18H20N2O3/c1-13(14-4-5-14)19-17(21)12-23-18(22)15-6-8-16(9-7-15)20-10-2-3-11-20/h2-3,6-11,13-14H,4-5,12H2,1H3,(H,19,21)/t13-/m1/s1