2-[[3-oxidanylpropyl(phenethyl)carbamoyl]amino]-3-phenyl-propanoate

Systemtic Name: 2-[[3-oxidanylpropyl(phenethyl)carbamoyl]amino]-3-phenyl-propanoate Openeye Name: 2-[[3-hydroxypropyl(phenethyl)carbamoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[3-hydroxypropyl(phenethyl)amino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: 2-[[3-hydroxypropyl(phenethyl)carbamoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[3-hydroxypropyl(phenethyl)carbamoyl]amino]-3-phenyl-propionate Formula: C21H25N2O4- MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCCO)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCCO)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C21H26N2O4/c24-15-7-13-23(14-12-17-8-3-1-4-9-17)21(27)22-19(20(25)26)16-18-10-5-2-6-11-18/h1-6,8-11,19,24H,7,12-16H2,(H,22,27)(H,25,26)/p-1