ethyl 4-[[[2-[furan-2-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-propan-2-yl-carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[[2-[furan-2-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-propan-2-yl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[[2-[benzyl(2-furylmethyl)amino]-2-oxo-ethyl]-isopropyl-carbamoyl]amino]benzoate CAS Name: 4-[[[[2-[2-furanylmethyl-(phenylmethyl)amino]-2-oxoethyl]-propan-2-ylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]benzoate Traditional Name: 4-[[[2-[benzyl(2-furfuryl)amino]-2-keto-ethyl]-isopropyl-carbamoyl]amino]benzoic acid ethyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=CO3)C(C)C

InChI

InChI=1S/C27H31N3O5/c1-4-34-26(32)22-12-14-23(15-13-22)28-27(33)30(20(2)3)19-25(31)29(18-24-11-8-16-35-24)17-21-9-6-5-7-10-21/h5-16,20H,4,17-19H2,1-3H3,(H,28,33)