methyl 2-ethyl-3-methyl-3-[(4-nitrophenyl)methylamino]-5-phenylazanyl-pentanoate

Systemtic Name: methyl 2-ethyl-3-methyl-3-[(4-nitrophenyl)methylamino]-5-phenylazanyl-pentanoate Openeye Name: methyl 5-anilino-2-ethyl-3-methyl-3-[(4-nitrophenyl)methylamino]pentanoate CAS Name: 5-anilino-2-ethyl-3-methyl-3-[(4-nitrophenyl)methylamino]pentanoic acid methyl ester IUPAC Name: methyl 5-anilino-2-ethyl-3-methyl-3-[(4-nitrophenyl)methylamino]pentanoate Traditional Name: 5-anilino-2-ethyl-3-methyl-3-[(4-nitrobenzyl)amino]valeric acid methyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)C(C)(CCNC1=CC=CC=C1)NCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)OC)C(C)(CCNC1=CC=CC=C1)NCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O4/c1-4-20(21(26)29-3)22(2,14-15-23-18-8-6-5-7-9-18)24-16-17-10-12-19(13-11-17)25(27)28/h5-13,20,23-24H,4,14-16H2,1-3H3