[4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3-oxidanyl-phenyl] 4-(2-azanylethyl)benzoate

Systemtic Name: [4-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3-oxidanyl-phenyl] 4-(2-azanylethyl)benzoate Openeye Name: [4-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]carbamoyl]-3-hydroxy-phenyl] 4-(2-aminoethyl)benzoate CAS Name: 4-(2-aminoethyl)benzoic acid [3-hydroxy-4-[[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: [3-hydroxy-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]phenyl] 4-(2-aminoethyl)benzoate Traditional Name: 4-(2-aminoethyl)benzoic acid [4-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]carbamoyl]-3-hydroxy-phenyl] ester Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCN)O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCN)O

InChI

InChI=1S/C26H26N2O6/c1-33-26(32)22(15-18-5-3-2-4-6-18)28-24(30)21-12-11-20(16-23(21)29)34-25(31)19-9-7-17(8-10-19)13-14-27/h2-12,16,22,29H,13-15,27H2,1H3,(H,28,30)/t22-/m0/s1