methyl (2S)-2-[(4-butylphenyl)carbamoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(4-butylphenyl)carbamoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(4-butylphenyl)carbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(4-butylanilino)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-butylphenyl)carbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(4-butylphenyl)carbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H26N2O3/c1-3-4-8-16-11-13-18(14-12-16)22-21(25)23-19(20(24)26-2)15-17-9-6-5-7-10-17/h5-7,9-14,19H,3-4,8,15H2,1-2H3,(H2,22,23,25)/t19-/m0/s1