(phenylmethyl) 4-[[1-[(4-ethanoylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-3-[3-(4-phenylphenyl)pyrrol-1-yl]butanoate

Systemtic Name: (phenylmethyl) 4-[[1-[(4-ethanoylphenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-3-[3-(4-phenylphenyl)pyrrol-1-yl]butanoate Openeye Name: benzyl 4-[[1-[(4-acetylphenyl)carbamoyl]-3-methyl-butyl]amino]-4-oxo-3-[3-(4-phenylphenyl)pyrrol-1-yl]butanoate CAS Name: 4-[[1-(4-acetylanilino)-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-[3-(4-phenylphenyl)-1-pyrrolyl]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[1-(4-acetylanilino)-4-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-[3-(4-phenylphenyl)pyrrol-1-yl]butanoate Traditional Name: 4-[[1-[(4-acetylphenyl)carbamoyl]-3-methyl-butyl]amino]-4-keto-3-[3-(4-phenylphenyl)pyrrol-1-yl]butyric acid benzyl ester Formula: C41H41N3O5 MolecularWeight: 655.78134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=C(C=C1)C(=O)C)NC(=O)C(CC(=O)OCC2=CC=CC=C2)N3C=CC(=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)CC(C(=O)NC1=CC=C(C=C1)C(=O)C)NC(=O)C(CC(=O)OCC2=CC=CC=C2)N3C=CC(=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C41H41N3O5/c1-28(2)24-37(40(47)42-36-20-18-31(19-21-36)29(3)45)43-41(48)38(25-39(46)49-27-30-10-6-4-7-11-30)44-23-22-35(26-44)34-16-14-33(15-17-34)32-12-8-5-9-13-32/h4-23,26,28,37-38H,24-25,27H2,1-3H3,(H,42,47)(H,43,48)