2-[(phenylmethyl)-(4-pyren-4-ylbutylcarbamoyl)amino]ethanoic acid

Systemtic Name: 2-[(phenylmethyl)-(4-pyren-4-ylbutylcarbamoyl)amino]ethanoic acid Openeye Name: 2-[benzyl(4-pyren-4-ylbutylcarbamoyl)amino]acetic acid CAS Name: 2-[[oxo-[4-(4-pyrenyl)butylamino]methyl]-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl(4-pyren-4-ylbutylcarbamoyl)amino]acetic acid Traditional Name: 2-[benzyl(4-pyren-4-ylbutylcarbamoyl)amino]acetic acid Formula: C30H28N2O3 MolecularWeight: 464.55492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC(=O)O)C(=O)NCCCCC2=CC3=CC=CC4=C3C5=C(C=CC=C25)C=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC(=O)O)C(=O)NCCCCC2=CC3=CC=CC4=C3C5=C(C=CC=C25)C=C4

InChI

InChI=1S/C30H28N2O3/c33-27(34)20-32(19-21-8-2-1-3-9-21)30(35)31-17-5-4-10-24-18-25-13-6-11-22-15-16-23-12-7-14-26(24)29(23)28(22)25/h1-3,6-9,11-16,18H,4-5,10,17,19-20H2,(H,31,35)(H,33,34)