[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid [2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C27H29N3O5/c1-19-16-21(30-13-5-6-14-30)11-12-22(19)28-25(31)18-35-27(33)23(17-20-8-3-2-4-9-20)29-26(32)24-10-7-15-34-24/h2-4,7-12,15-16,23H,5-6,13-14,17-18H2,1H3,(H,28,31)(H,29,32)/t23-/m0/s1