[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl] 3-pyrrol-1-ylbenzoate Openeye Name: [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxo-ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [2-[[(1S)-1,2-diphenylethyl]amino]-2-keto-ethyl] ester Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C27H24N2O3/c30-26(20-32-27(31)23-14-9-15-24(19-23)29-16-7-8-17-29)28-25(22-12-5-2-6-13-22)18-21-10-3-1-4-11-21/h1-17,19,25H,18,20H2,(H,28,30)/t25-/m0/s1