N,N-diethylethanamine; methyl (2S)-2-[(4-dimethylaminophenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: N,N-diethylethanamine; methyl (2S)-2-[(4-dimethylaminophenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: N,N-diethylethanamine; methyl (2S)-2-[[4-(dimethylamino)benzoyl]amino]-3-phenyl-propanoate CAS Name: N,N-diethylethanamine; (2S)-2-[[(4-dimethylaminophenyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: N,N-diethylethanamine; methyl (2S)-2-[[4-(dimethylamino)benzoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(dimethylamino)benzoyl]amino]-3-phenyl-propionic acid methyl ester; triethylamine Formula: C63H81N7O9 MolecularWeight: 1080.35874

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CN(C)C1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC.CN(C)C1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC.CN(C)C1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCN(CC)CC.CN(C)C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC.CN(C)C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC.CN(C)C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/3C19H22N2O3.C6H15N/c3*1-21(2)16-11-9-15(10-12-16)18(22)20-17(19(23)24-3)13-14-7-5-4-6-8-14;1-4-7(5-2)6-3/h3*4-12,17H,13H2,1-3H3,(H,20,22);4-6H2,1-3H3/t3*17-;/m000./s1