N-(4-carbamimidoylphenyl)-N'-[(1S)-1-naphthalen-2-ylethyl]-2-phenyl-propanediamide; methanoic acid

Systemtic Name: N-(4-carbamimidoylphenyl)-N'-[(1S)-1-naphthalen-2-ylethyl]-2-phenyl-propanediamide; methanoic acid Openeye Name: N-(4-carbamimidoylphenyl)-N'-[(1S)-1-(2-naphthyl)ethyl]-2-phenyl-propanediamide; formic acid CAS Name: N-(4-carbamimidoylphenyl)-N'-[(1S)-1-(2-naphthalenyl)ethyl]-2-phenylpropanediamide; formic acid IUPAC Name: N-(4-carbamimidoylphenyl)-N'-[(1S)-1-naphthalen-2-ylethyl]-2-phenylpropanediamide; formic acid Traditional Name: N-(4-amidinophenyl)-N'-[(1S)-1-(2-naphthyl)ethyl]-2-phenyl-malonamide; formic acid Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N.C(=O)O

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2C=C1)NC(=O)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N.C(=O)O

InChI

InChI=1S/C28H26N4O2.CH2O2/c1-18(22-12-11-19-7-5-6-10-23(19)17-22)31-27(33)25(20-8-3-2-4-9-20)28(34)32-24-15-13-21(14-16-24)26(29)30;2-1-3/h2-18,25H,1H3,(H3,29,30)(H,31,33)(H,32,34);1H,(H,2,3)/t18-,25?;/m0./s1