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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CN)CO

Isomeric SMILES

CCCCCNC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CN)CO

InChI

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