1-[6-azanyl-2-[1-(4-ethoxycarbonylnaphthalen-2-yl)propylamino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[1-(4-ethoxycarbonylnaphthalen-2-yl)propylamino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[1-(4-ethoxycarbonyl-2-naphthyl)propylamino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-2-[1-(4-ethoxycarbonyl-2-naphthalenyl)propylamino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[1-(4-ethoxycarbonylnaphthalen-2-yl)propylamino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[1-(4-carbethoxy-2-naphthyl)propylamino]hexanoyl]proline Formula: C27H37N3O5 MolecularWeight: 483.59978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=CC=CC=C2C(=C1)C(=O)OCC)NC(CCCCN)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CCC(C1=CC2=CC=CC=C2C(=C1)C(=O)OCC)NC(CCCCN)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C27H37N3O5/c1-3-22(19-16-18-10-5-6-11-20(18)21(17-19)27(34)35-4-2)29-23(12-7-8-14-28)25(31)30-15-9-13-24(30)26(32)33/h5-6,10-11,16-17,22-24,29H,3-4,7-9,12-15,28H2,1-2H3,(H,32,33)