ethyl 4-[3-(1-azanylnaphthalen-2-yl)-2-[(3-methoxycarbonylphenyl)methyl]-3-oxidanylidene-propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(1-azanylnaphthalen-2-yl)-2-[(3-methoxycarbonylphenyl)methyl]-3-oxidanylidene-propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(1-amino-2-naphthyl)-2-[(3-methoxycarbonylphenyl)methyl]-3-oxo-propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(1-amino-2-naphthalenyl)-2-[(3-methoxycarbonylphenyl)methyl]-1,3-dioxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-aminonaphthalen-2-yl)-2-[(3-methoxycarbonylphenyl)methyl]-3-oxopropanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(1-amino-2-naphthyl)-2-(3-carbomethoxybenzyl)-3-keto-propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=O)OC)C(=O)C3=C(C4=CC=CC=C4C=C3)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=O)OC)C(=O)C3=C(C4=CC=CC=C4C=C3)N

InChI

InChI=1S/C29H31N3O6/c1-3-38-29(36)32-15-13-31(14-16-32)27(34)24(18-19-7-6-9-21(17-19)28(35)37-2)26(33)23-12-11-20-8-4-5-10-22(20)25(23)30/h4-12,17,24H,3,13-16,18,30H2,1-2H3