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

Systemtic Name: 4-[2-(2-azanylethyl)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid Openeye Name: 4-[2-(2-aminoethyl)-2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(1-ethylpropylamino)benzoic acid CAS Name: 4-[2-(2-aminoethyl)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(pentan-3-ylamino)benzoic acid IUPAC Name: 4-[2-(2-aminoethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid Traditional Name: 4-[2-(2-aminoethyl)-5-keto-2-methylol-pyrrolidino]-3-(1-ethylpropylamino)benzoic acid Formula: C19H29N3O4 MolecularWeight: 363.45126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4/c1-3-14(4-2)21-15-11-13(18(25)26)5-6-16(15)22-17(24)7-8-19(22,12-23)9-10-20/h5-6,11,14,21,23H,3-4,7-10,12,20H2,1-2H3,(H,25,26)