tert-butyl 5-[[(2-azanyl-4-methoxy-phenyl)-pentanoyl-amino]methyl]-2-phenyl-benzoate

Systemtic Name: tert-butyl 5-[[(2-azanyl-4-methoxy-phenyl)-pentanoyl-amino]methyl]-2-phenyl-benzoate Openeye Name: tert-butyl 5-[(2-amino-4-methoxy-N-pentanoyl-anilino)methyl]-2-phenyl-benzoate CAS Name: 5-[[2-amino-4-methoxy-N-(1-oxopentyl)anilino]methyl]-2-phenylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(2-amino-4-methoxy-N-pentanoylanilino)methyl]-2-phenylbenzoate Traditional Name: 5-[(2-amino-4-methoxy-N-valeryl-anilino)methyl]-2-phenyl-benzoic acid tert-butyl ester Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OC(C)(C)C)C3=C(C=C(C=C3)OC)N

Isomeric SMILES

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OC(C)(C)C)C3=C(C=C(C=C3)OC)N

InChI

InChI=1S/C30H36N2O4/c1-6-7-13-28(33)32(27-17-15-23(35-5)19-26(27)31)20-21-14-16-24(22-11-9-8-10-12-22)25(18-21)29(34)36-30(2,3)4/h8-12,14-19H,6-7,13,20,31H2,1-5H3