(phenylmethyl) 2-[(4-tert-butylphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (phenylmethyl) 2-[(4-tert-butylphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: benzyl 2-[(4-tert-butylphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(4-tert-butylphenyl)methoxy-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-tert-butylphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(4-tert-butylbenzyl)oxycarbonylamino]-3-(1H-indol-3-yl)propionic acid benzyl ester Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H32N2O4/c1-30(2,3)24-15-13-22(14-16-24)20-36-29(34)32-27(28(33)35-19-21-9-5-4-6-10-21)17-23-18-31-26-12-8-7-11-25(23)26/h4-16,18,27,31H,17,19-20H2,1-3H3,(H,32,34)