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

Systemtic Name: 4-[2-(aminomethyl)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid Openeye Name: 4-[2-(aminomethyl)-2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(1-ethylpropylamino)benzoic acid CAS Name: 4-[2-(aminomethyl)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(pentan-3-ylamino)benzoic acid IUPAC Name: 4-[2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid Traditional Name: 4-[2-(aminomethyl)-5-keto-2-methylol-pyrrolidino]-3-(1-ethylpropylamino)benzoic acid Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CN)CO

Isomeric SMILES

CCC(CC)NC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CN)CO

InChI

InChI=1S/C18H27N3O4/c1-3-13(4-2)20-14-9-12(17(24)25)5-6-15(14)21-16(23)7-8-18(21,10-19)11-22/h5-6,9,13,20,22H,3-4,7-8,10-11,19H2,1-2H3,(H,24,25)