[2-azanyl-3-(2,3-dihydro-1H-inden-5-yl)propanoyl] 3-(5-azanylpentanoylamino)benzoate

Systemtic Name: [2-azanyl-3-(2,3-dihydro-1H-inden-5-yl)propanoyl] 3-(5-azanylpentanoylamino)benzoate Openeye Name: (2-amino-3-indan-5-yl-propanoyl) 3-(5-aminopentanoylamino)benzoate CAS Name: 3-[(5-amino-1-oxopentyl)amino]benzoic acid [2-amino-3-(2,3-dihydro-1H-inden-5-yl)-1-oxopropyl] ester IUPAC Name: [2-amino-3-(2,3-dihydro-1H-inden-5-yl)propanoyl] 3-(5-aminopentanoylamino)benzoate Traditional Name: 3-(5-aminopentanoylamino)benzoic acid (2-amino-3-indan-5-yl-propanoyl) ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)CC(C(=O)OC(=O)C3=CC(=CC=C3)NC(=O)CCCCN)N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)CC(C(=O)OC(=O)C3=CC(=CC=C3)NC(=O)CCCCN)N

InChI

InChI=1S/C24H29N3O4/c25-12-2-1-9-22(28)27-20-8-4-7-19(15-20)23(29)31-24(30)21(26)14-16-10-11-17-5-3-6-18(17)13-16/h4,7-8,10-11,13,15,21H,1-3,5-6,9,12,14,25-26H2,(H,27,28)