[(E)-[azanyl-[3-benzamidopropyl(pyrrolidin-2-ylcarbonyl)amino]methylidene]amino] ethanoate

Systemtic Name: [(E)-[azanyl-[3-benzamidopropyl(pyrrolidin-2-ylcarbonyl)amino]methylidene]amino] ethanoate Openeye Name: [(E)-[amino-[3-benzamidopropyl(pyrrolidine-2-carbonyl)amino]methylene]amino] acetate CAS Name: acetic acid [(E)-[amino-[3-benzamidopropyl-[oxo(2-pyrrolidinyl)methyl]amino]methylidene]amino] ester IUPAC Name: [(E)-[amino-[3-benzamidopropyl(pyrrolidine-2-carbonyl)amino]methylidene]amino] acetate Traditional Name: acetic acid [(E)-[amino-[3-benzamidopropyl(prolyl)amino]methylene]amino] ester Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON=C(N)N(CCCNC(=O)C1=CC=CC=C1)C(=O)C2CCCN2

Isomeric SMILES

CC(=O)O/N=C(\N)/N(CCCNC(=O)C1=CC=CC=C1)C(=O)C2CCCN2

InChI

InChI=1S/C18H25N5O4/c1-13(24)27-22-18(19)23(17(26)15-9-5-10-20-15)12-6-11-21-16(25)14-7-3-2-4-8-14/h2-4,7-8,15,20H,5-6,9-12H2,1H3,(H2,19,22)(H,21,25)