ethyl (2S)-2-[(4-azanyl-2-naphthalen-1-yl-phenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: ethyl (2S)-2-[(4-azanyl-2-naphthalen-1-yl-phenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: ethyl (2S)-2-[[4-amino-2-(1-naphthyl)benzoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[4-amino-2-(1-naphthalenyl)phenyl]-oxomethyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(4-amino-2-naphthalen-1-ylbenzoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-amino-2-(1-naphthyl)benzoyl]amino]-4-methyl-valeric acid ethyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)C1=C(C=C(C=C1)N)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)[C@H](CC(C)C)NC(=O)C1=C(C=C(C=C1)N)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H28N2O3/c1-4-30-25(29)23(14-16(2)3)27-24(28)21-13-12-18(26)15-22(21)20-11-7-9-17-8-5-6-10-19(17)20/h5-13,15-16,23H,4,14,26H2,1-3H3,(H,27,28)/t23-/m0/s1