diethyl 2-[[[3-ethyl-2-(phenylmethyl)pyrrol-1-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[3-ethyl-2-(phenylmethyl)pyrrol-1-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(2-benzyl-3-ethyl-pyrrol-1-yl)amino]methylene]propanedioate CAS Name: 2-[[[3-ethyl-2-(phenylmethyl)-1-pyrrolyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2-benzyl-3-ethylpyrrol-1-yl)amino]methylidene]propanedioate Traditional Name: 2-[[(2-benzyl-3-ethyl-pyrrol-1-yl)amino]methylene]malonic acid diethyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C=C1)NC=C(C(=O)OCC)C(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCC1=C(N(C=C1)NC=C(C(=O)OCC)C(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4/c1-4-17-12-13-23(19(17)14-16-10-8-7-9-11-16)22-15-18(20(24)26-5-2)21(25)27-6-3/h7-13,15,22H,4-6,14H2,1-3H3