4-[2-(azidomethyl)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid

Systemtic Name: 4-[2-(azidomethyl)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid Openeye Name: 4-[2-(azidomethyl)-2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(1-ethylpropylamino)benzoic acid CAS Name: 4-[2-(azidomethyl)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(pentan-3-ylamino)benzoic acid IUPAC Name: 4-[2-(azidomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid Traditional Name: 4-[2-(azidomethyl)-5-keto-2-methylol-pyrrolidino]-3-(1-ethylpropylamino)benzoic acid Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CN=[N+]=[N-])CO

Isomeric SMILES

CCC(CC)NC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CN=[N+]=[N-])CO

InChI

InChI=1S/C18H25N5O4/c1-3-13(4-2)21-14-9-12(17(26)27)5-6-15(14)23-16(25)7-8-18(23,11-24)10-20-22-19/h5-6,9,13,21,24H,3-4,7-8,10-11H2,1-2H3,(H,26,27)